Cas no 54333-75-4 (2-Chloro-N,N-diethylpropanamide)

2-Chloro-N,N-diethylpropanamide is a chloro-substituted amide compound with the molecular formula C7H14ClNO. It features a reactive chloro group adjacent to the carbonyl functionality, making it a versatile intermediate in organic synthesis. The diethylamino substituent enhances its solubility in organic solvents, facilitating its use in nucleophilic substitution and condensation reactions. This compound is particularly valuable in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals due to its ability to act as an alkylating agent or as a precursor for further functionalization. Its stability under standard storage conditions and well-characterized reactivity profile contribute to its utility in research and industrial applications.
2-Chloro-N,N-diethylpropanamide structure
54333-75-4 structure
Product Name:2-Chloro-N,N-diethylpropanamide
CAS No:54333-75-4
MF:C7H14ClNO
MW:163.645161151886
MDL:MFCD00066184
CID:56575
PubChem ID:41046
Update Time:2025-05-21

2-Chloro-N,N-diethylpropanamide Chemical and Physical Properties

Names and Identifiers

    • N,N-Diethyl-2-chloropropionamide
    • 2-Chloro-N,N-diethylpropionamide
    • 2-chloro-N,N-diethylpropanamide
    • 2-Chlor-propionsaeure-N,N-diaethylamid
    • 2-Chlor-propionsaeure-N.N-diethylamid
    • EINECS 259-107-8
    • Propanamide,2-chloro-N,N-diethyl
    • MFCD00066184
    • FT-0769383
    • Propanamide, 2-chloro-N,N-diethyl-
    • AKOS000182278
    • EN300-28105
    • AKOS021982274
    • N11831
    • alpha-Chloro-N,N-diethylpropionamide
    • SCHEMBL2921860
    • DTXSID3052195
    • LS-12158
    • NS00033049
    • 54333-75-4
    • 2-Chloro-N,N-diethylpropanamide
    • MDL: MFCD00066184
    • Inchi: 1S/C7H14ClNO/c1-4-9(5-2)7(10)6(3)8/h6H,4-5H2,1-3H3
    • InChI Key: WORKHWHULFDZDE-UHFFFAOYSA-N
    • SMILES: ClC(C)C(N(CC)CC)=O

Computed Properties

  • Exact Mass: 163.07600
  • Monoisotopic Mass: 163.0763918g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 112
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 20.3?2

Experimental Properties

  • Density: 1.021
  • Boiling Point: 217 oC
  • Flash Point: 85 oC
  • PSA: 20.31000
  • LogP: 1.48210

2-Chloro-N,N-diethylpropanamide Customs Data

  • HS CODE:2924199090
  • Customs Data:

    China Customs Code:

    2924199090

    Overview:

    2924199090. Other acyclic amides(Including acyclic carbamates)(Including its derivatives and salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

2-Chloro-N,N-diethylpropanamide Pricemore >>

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Additional information on 2-Chloro-N,N-diethylpropanamide

2-Chloro-N,N-Diethylpropanamide: A Comprehensive Overview

2-Chloro-N,N-Diethylpropanamide, also known by its CAS Registry Number 54333-75-4, is a versatile organic compound with significant applications in various industries. This compound is a derivative of propanamide, where the amide group is substituted with two ethyl groups, and a chlorine atom is attached to the second carbon of the propane chain. The structure of this compound can be represented as CH2Cl-CO-N(Et)2, where Et represents an ethyl group.

The synthesis of 2-Chloro-N,N-Diethylpropanamide typically involves the reaction of 2-chloropropanoic acid with diethylamine under appropriate conditions. This reaction can be optimized using catalytic agents or by adjusting the reaction temperature and pH to ensure high yield and purity. Recent studies have explored the use of microwave-assisted synthesis to enhance the efficiency of this process, reducing reaction time while maintaining product quality.

Physical and Chemical Properties:

2-Chloro-N,N-Diethylpropanamide is a white crystalline solid with a melting point of approximately 65°C and a boiling point around 180°C. It has a molecular weight of 165.66 g/mol and a density of 1.18 g/cm3. The compound is slightly soluble in water but dissolves readily in organic solvents such as dichloromethane, chloroform, and ethanol. Its solubility properties make it suitable for various chemical reactions and applications.

Applications:

2-Chloro-N,N-Diethylpropanamide finds extensive use in the pharmaceutical industry as an intermediate in the synthesis of various drugs. Its amide functional group makes it a valuable building block for constructing complex molecular structures. For instance, it has been employed in the synthesis of beta-lactam antibiotics, where it serves as a key intermediate in forming the beta-lactam ring.

In addition to pharmaceutical applications, this compound is also utilized in agrochemicals, particularly in the development of herbicides and insecticides. Its ability to act as an intermediate in the synthesis of active ingredients for these products underscores its importance in agricultural chemistry.

Recent Research Developments:

Recent studies have focused on exploring novel synthetic routes for 2-Chloro-N,N-Diethylpropanamide, aiming to improve yield, reduce costs, and minimize environmental impact. Researchers have investigated the use of enzymatic catalysis and green chemistry principles to develop more sustainable synthesis methods.

Preliminary findings suggest that enzymatic methods can significantly enhance the selectivity and efficiency of the synthesis process. For example, lipase-catalyzed reactions have been reported to achieve higher yields with reduced byproduct formation compared to traditional chemical methods.

Toxicological and Environmental Considerations:

The environmental impact of 2-Chloro-N,N-Diethylpropanamide has been a topic of recent research interest. Studies have evaluated its biodegradability under various environmental conditions, including soil, water, and aerobic/anaerobic microbial systems.

Preliminary results indicate that this compound exhibits moderate biodegradability under aerobic conditions, with degradation rates influenced by factors such as temperature, pH, and microbial communities. These findings are crucial for assessing its potential long-term impact on ecosystems and guiding its safe disposal practices.

Safety Data:

Handling Precautions:

  • Avoid direct contact with skin or eyes due to potential irritation.
  • Maintain proper ventilation during handling to prevent inhalation exposure.
  • Store in a cool, dry place away from incompatible materials such as strong oxidizing agents or acids.
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