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2-Dimethylaminoisopropyl chloride hydrochloride, also known as 2-chloro-N, N-dimethylpropylamine, is an organic compound with the molecular formula (CH3) 2N (CH3) CH2Cl · HCl, CAS 4584-49-0. It is a white solid powder that is sensitive to light and air. It is soluble in organic solvents such as water, methanol, ethanol, acetone, chloroform, and dichloromethane. As a salt of hydrogen chloride, it has acidic properties. Under heating conditions, the compound exhibits good thermal stability. As an important organic intermediate, it has wide applications in fields such as medicine, pesticides, materials science, industry, and environmental science. With the continuous development of science and technology and the exploration of new application fields, its uses will continue to expand and enrich.
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Chemical Formula |
C5H13Cl2N |
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Exact Mass |
157 |
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Molecular Weight |
158 |
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m/z |
157 (100.0%), 159 (63.9%), 161 (10.2%), 158 (5.4%), 160 (3.5%) |
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Elemental Analysis |
C, 37.99; H, 8.29; Cl, 44.85; N, 8.86 |
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Morphological |
powder |
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Color |
white to light cream |
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Density |
store below + 30 ° C |
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Storage conditions |
store below + 30 ° C |
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Solubility H2O |
2000g / L |
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2-Dimethylamine isopropyl chloride hydrochloride (DMAP Cl) is a common quaternary ammonium salt reagent with various applications. For example, it can be used as alkylation and nucleophilic reagents for quaternary ammonium salt reactions, as well as as as intermediates for certain drugs. It can be obtained by the reaction of N, N-dimethylpropanediamine and ethyl hydrochlorite. This reaction needs to be carried out under the catalysis of antimony trichloride. The specific steps are as follows:
Chemical equation:
C5H14N2+2 HCl+SbCl3 → C5H13Cl2N+SbCl5
C6H16NCl · HCl=C6H16NCl2+H2O
Note: SbCl5 in the above equation is a byproduct that can be left behind when separating the organic phase.
Material:
N. N-Dimethylpropanediamine (DMAE, analytically pure)
Antimony trichloride (SbCl3, analytical pure)
Ethyl hydrogen chlorate (HClEt, analytical pure)
Anhydrous ether (analytical pure)
Acetone (analytical pure)
Sodium hydroxide (NaOH, analytical pure)
Water (deionized water or distilled water)
Prepare these reagents separately for subsequent reaction operations.
Step:
1.
Add 15 mL of anhydrous ether, 6 mL of N, N-dimethylpropanediamine, and 0.65 g of antimony trichloride to a dry four necked bottle.
2.
Stir until antimony trichloride is completely dissolved, forming a mixture.
3.
Slowly add 10 mL of ethyl chlorate to the reaction mixture, while adding a magnetic stirrer, and continue stirring for 30 minutes. During the reaction process, white solids will precipitate out.
4.
Transfer the reaction mixture to a dry 500 mL separation funnel and separate the organic solvent phase at the bottom layer.
5.
Wash twice with sodium hydroxide solution, and neutralize each time with 50 mL of aqueous solution.
6.
Remove the solvent from the organic phase to obtain a white solid product of 2-Dimethylamine isopropyl chloride hydrochloride.
7.
Filter the falling solid on the filter paper and wash it with acetone.
8.
The DMAP-Cl product obtained by drying can be processed using vacuum drying method in a dryer.
Remark: BLOOM TECH(Since 2008), ACHIEVE CHEM-TECH is the subsidiary of us.
2-dimethylaminoisopropyl chloride hydrochloride is an intermediate of drugs such as yantongjing, telden, chlorpromazine, imipramine, doxepin, amitriptyline, etc. The production method is to send dimethylamine and propylene alcohol into the reaction tank, synthesize under pressure in the presence of sodium hydroxide at 130-150 ℃ and 127.5-147.1kpa, prepare 1-dimethylaminopropyl-3-alcohol through reflux for 14 chemicalbookh, chlorinate with thionyl chloride, and react at 55-90 ℃ for 9-10h to obtain the finished product of 1-dimethylamino-3-chloropropane hydrochloride.
2-Dimethylaminoisopropyl chloride is an organic compound with multiple uses. In addition to its applications in the fields of medicine, pesticides, materials science, and industry, 2-Dimethylaminoisopropyl chloride also plays an important role in the field of environmental science.
1. Wastewater extractant
It has hydrophobic and hydrophilic groups, which can be used as an extractant for wastewater treatment. After complexing or adsorbing with organic pollutants in wastewater, organic pollutants can be effectively separated from the wastewater, thereby achieving the goal of purifying the wastewater. This treatment method is particularly suitable for treating wastewater containing heavy metal ions and organic pollutants.
2. Wastewater Flocculants
It can be used as a flocculant for wastewater treatment. By forming colloidal precipitates in wastewater, suspended solids, heavy metal ions, and organic pollutants can be removed. Compared with other flocculants, It has better flocculation effect and lower toxic side effects, making it an ideal wastewater treatment agent.
3. Soil remediation
It can be used for soil remediation. By complexing or adsorbing heavy metal ions in the soil, the migration and bioavailability of heavy metal ions in the soil can be reduced, thereby reducing the impact of heavy metals on soil ecosystems. This method is particularly suitable for repairing soil contaminated with heavy metals.
4. Groundwater remediation
It can be used for groundwater remediation. By forming a hydrophobic film on the surface of groundwater and soil, pollutants from groundwater can be prevented from entering the soil, while also blocking pollutants from the soil outside the groundwater. This method is particularly suitable for repairing contaminated groundwater.
Overall, It has broad application value in the field of environmental science. With the continuous improvement of environmental protection awareness and the continuous development of environmental governance technology, its application prospects will be even broader. In the future, it is possible to further expand its application scope in the field of environmental science and develop more innovative environmental governance solutions by conducting in-depth research on its mechanism of action and optimizing its application conditions.
In the vast field of environmental pollution control, groundwater remediation is a particularly critical and complex issue. With the acceleration of industrialization and urbanization, groundwater pollution has become increasingly prominent, posing a serious threat to ecosystems and human health. Therefore, exploring and developing effective groundwater remediation technologies is particularly important. Among them, 2-dimethylamino-isopropylchloride hydrochloride (CAS number: 4584-49-0, abbreviated as DMAIPC hydrochloride) has shown certain potential and application prospects in groundwater remediation as a special chemical substance.
Application principle of DMAIPC hydrochloride in groundwater remediation
The application of DMAIPC hydrochloride in groundwater remediation is mainly based on its chemical properties and reaction characteristics with pollutants. Specifically, it can promote the remediation of groundwater pollution through the following mechanisms:
Redox reaction:
DMAIPC hydrochloride or its hydrolysis products may have certain redox ability and can participate in or catalyze the redox reaction of harmful pollutants in groundwater, converting them into less toxic or harmless substances. This mechanism is particularly suitable for treating groundwater containing halogenated hydrocarbons and chlorinated aromatic hydrocarbons organic pollutants.
Adsorption and complexation:
DMAIPC hydrochloride or its derivatives may have good adsorption properties and can adsorb heavy metal ions, organic pollutants, etc. in groundwater, thereby reducing their migration and diffusion in groundwater. In addition, DMAIPC hydrochloride may also bind with certain metal ions through chelation to form stable complexes, further reducing its toxicity and bioavailability.
Promoting biodegradation:
Although DMAIPC hydrochloride itself is not directly used for bioremediation, it may indirectly promote microbial degradation of organic pollutants by improving the microenvironment of groundwater, such as adjusting pH values and providing nutrients. This mechanism needs to be combined with bioremediation technology to achieve better repair results.
Application examples and prospects
At present, there are relatively few direct application cases of DMAIPC hydrochloride in groundwater remediation, but its research and exploration in related fields are constantly deepening. For example, researchers can use DMAIPC hydrochloride as an auxiliary reagent in combination with other chemical remediation methods (such as redox, stabilization/immobilization) or bioremediation methods to improve the effectiveness and efficiency of groundwater remediation. In the future, with in-depth research on the properties of DMAIPC hydrochloride and its reaction mechanism with pollutants, as well as the continuous improvement of environmental regulations and the promotion of technological innovation, the application prospects of 2-Dimethylaminoisopropyl chloride hydrochloride in groundwater remediation will be even broader. At the same time, attention should also be paid to its environmental risks and safety issues to ensure that it does not have adverse effects on the environment and human health during use.
Purity testing: High Performance Liquid Chromatography (HPLC)
Principle
The target compound and impurities were separated using a C18 reversed-phase chromatography column. The purity was quantitatively analyzed through an ultraviolet detector (210-220 nm). This method was achieved by utilizing the difference in the distribution coefficient of the compound between the stationary phase and the mobile phase.
Implementation steps
Sample preparation: Weigh approximately 10 mg of the sample, dissolve it in methanol and make the volume up to 10 mL. Filter and proceed with the measurement.
Chromatographic conditions:
Mobile phase: Acetonitrile-water (containing 0.1% trifluoroacetic acid), gradient elution (0-10 minutes, acetonitrile increasing from 20% to 80%).
Flow rate: 1.0 mL/min.
Column temperature: 30℃.
Quantitative analysis: The purity was calculated using the area normalization method. The requirement was ≥ 99% (impurity ≤ 0.5%, total impurity ≤ 1%).
Advantages
High sensitivity (with a detection limit of 0.01%), capable of simultaneously separating multiple impurities.
Suitable for quality control of high-purity raw materials (such as APIs).
Structural identification: Nuclear Magnetic Resonance Hydrogen Spectroscopy (1H-NMR)
Principle
By analyzing the chemical shifts, coupling constants and integral areas of the hydrogen atoms in the compound, the molecular structure and the positions of functional groups can be confirmed.
Implementation steps
Sample preparation: Weigh approximately 5 mg of the sample and dissolve it in 0.5 mL of deuterated chloroform (CDCl3) or deuterated water (D2O).
Test conditions:
Instrument: 400 MHz nuclear magnetic resonance spectrometer.
Scanning times: 16 times.
Temperature: 25℃.
Spectrum interpretation:
Confirm the methyl proton signals of the dimethylamino group (-N(CH3)2) (δ ≈ 2.2 - 2.5 ppm).
Verify the methylene and methyl proton signals of the isopropyl group (-CH(CH3)2) (δ ≈ 1.1 - 1.3 ppm and δ ≈ 3.5 - 4.0 ppm).
Compare with the standard spectrum library or literature data to ensure structural consistency.
Advantages
Non-destructive testing can provide molecular-level structural information.
It is applicable for the structural verification of synthetic intermediates and final products.
Impurity Control: Gas Chromatography-Mass Spectrometry (GC-MS)
Principle
Combining the separation ability of gas chromatography with the qualitative function of mass spectrometry, qualitative and quantitative analysis of volatile impurities (such as solvent residues, by-products) is carried out.
Implementation steps
Sample preparation: Weigh approximately 20 mg of the sample, dissolve it in dichloromethane and make the volume up to 10 mL. Filter and proceed with the analysis.
Chromatographic conditions:
Column type: DB-5MS capillary column (30 m × 0.25 mm × 0.25 μm).
Temperature program: Initial temperature 50℃, hold for 2 minutes, then increase at 10℃/min to 280℃, hold for 5 minutes.
Carrier gas: Helium (1.0 mL/min).
Mass spectrometry conditions:
Ionization mode: Electron impact source (EI, 70 eV).
Scan range: m/z 40-500.
Qualitative analysis: Confirm the structure of impurities by matching with the NIST mass spectrometry library.
Quantitative analysis: Calculate the impurity content using the internal standard method (such as dibutyl phthalate).
Advantages
High sensitivity (ppb level), capable of detecting trace impurities.
Suitable for the control of volatile organic compounds (VOCs).
Stability assessment: Thermogravimetric analysis (TGA) and Differential Scanning Calorimetry (DSC)
Thermogravimetric analysis (TGA)
Principle: Measure the mass change of the sample during the heating process to assess thermal stability.
Implementation steps:
Weigh approximately 5 mg of the sample and place it in an alumina crucible.
Heating rate: 10°C/min, temperature range: 30-600°C.
Atmosphere: Nitrogen (50 mL/min).
Result analysis:
Confirm the decomposition temperature (e.g., ≥ 200°C indicates good thermal stability).
Calculate the residue content (e.g., ≤ 0.5% indicates no significant decomposition).
Differential Scanning Calorimetry (DSC)
Principle: Measure the heat difference between the sample and the reference material to determine the melting point and phase transition temperature.
Implementation steps:
Weigh approximately 2 mg of the sample and place it in an aluminum crucible.
Heating rate: 5°C/min, temperature range: 30-250°C.
Atmosphere: Nitrogen (50 mL/min).
Result analysis:
Confirm the melting point range (e.g., 187-190°C, consistent with the literature value).
Detect polymorphs or phase transition behavior (e.g., no additional endothermic/exothermic peaks indicate stable crystal form).
Advantages
Provide thermodynamic data to guide storage conditions (e.g., recommend ≤ 30℃ for dry storage).
Suitable for stability studies of raw materials and preparations.
Comprehensive Evaluation and Industry Applications
Method Selection Basis
Purity Testing: HPLC is the preferred method, meeting pharmacopoeia requirements (such as USP, EP).
Structure Identification: 1H-NMR is the gold standard, suitable for validation of synthetic routes.
Impurity Control: GC-MS is suitable for volatile impurities, and HPLC-MS is suitable for non-volatile impurities.
Stability Assessment: TGA and DSC are used in combination to comprehensively evaluate thermal stability.
Industry Application Cases
Pharmaceutical Industry: Used for quality control of intermediate materials in the synthesis of antihistamines (such as promethazine), local anesthetics (such as procaine).
Pesticide Industry: As an alkylation reagent for the synthesis of herbicides (such as 2,4-D butyl ester), strict control of impurities is necessary to avoid phytotoxicity.
Materials Science: Used for the synthesis of polyurethane catalysts, evaluating thermal stability to ensure processing safety.
Future Trends
High-resolution Mass Spectrometry (HRMS): Improves the accuracy of impurity identification (such as detecting molecular formulas and isotope distributions).
Supercritical Fluid Chromatography (SFC): Replaces traditional HPLC, achieving green separation (such as reducing the use of organic solvents).
Online Analytical Techniques: Combined with PAT (Process Analysis Technology), achieving real-time quality control.
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