Cas no 106315-37-1 (Ethyl 3-Chloro-2,2-dimethylpropanoate)

Ethyl 3-Chloro-2,2-dimethylpropanoate is a chlorinated ester compound with the molecular formula C7H13ClO2. It features a branched alkyl structure, incorporating both chloro and ester functional groups, which enhance its reactivity in synthetic applications. This compound is commonly employed as an intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and specialty chemicals. Its stability and well-defined reactivity profile make it suitable for nucleophilic substitution and condensation reactions. The presence of the chloro and ester groups allows for further functionalization, enabling the synthesis of complex molecular architectures. It is typically handled under controlled conditions due to its moderate reactivity.
Ethyl 3-Chloro-2,2-dimethylpropanoate structure
106315-37-1 structure
Product Name:Ethyl 3-Chloro-2,2-dimethylpropanoate
CAS No:106315-37-1
MF:C7H13ClO2
MW:164.629921674728
MDL:MFCD00220052
CID:133941
PubChem ID:287572
Update Time:2025-10-29

Ethyl 3-Chloro-2,2-dimethylpropanoate Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid,3-chloro-2,2-dimethyl-, ethyl ester
    • 3-Chloro-2,2-dimethyl-propionic acid ethyl ester
    • Ethyl 3-chloro-2,2-dimethylpropanoate
    • ethyl 3-chloropivalate
    • Ethyl 3-chloropivalate, Ethyl 3-chloro-2,2-dimethylpropionate
    • MFCD00220052
    • 106315-37-1
    • DTXSID40301962
    • SCHEMBL669239
    • MS-21961
    • NEVHNBRNUWSFSB-UHFFFAOYSA-N
    • ethyl 3-chloro-2,2-dimethyl-propanoate
    • Propanoic acid,3-chloro-2,2-dimethyl-,ethyl ester
    • SB30445
    • ethyl3-chloro-2,2-dimethylpropanoate
    • CS-0140561
    • FT-0693318
    • NSC-147628
    • AKOS006228623
    • EN300-108445
    • NSC147628
    • J-001571
    • E85836
    • Ethyl 3-Chloro-2,2-dimethylpropanoate
    • MDL: MFCD00220052
    • Inchi: 1S/C7H13ClO2/c1-4-10-6(9)7(2,3)5-8/h4-5H2,1-3H3
    • InChI Key: NEVHNBRNUWSFSB-UHFFFAOYSA-N
    • SMILES: ClCC(C(=O)OCC)(C)C

Computed Properties

  • Exact Mass: 164.06000
  • Monoisotopic Mass: 164.0604073g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 4
  • Complexity: 121
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Boiling Point: 38-40/0.1mm
  • PSA: 26.30000
  • LogP: 1.81450

Ethyl 3-Chloro-2,2-dimethylpropanoate Security Information

Ethyl 3-Chloro-2,2-dimethylpropanoate Customs Data

  • HS CODE:2915900090
  • Customs Data:

    China Customs Code:

    2915900090

    Overview:

    2915900090. Other saturated acyclic monocarboxylic acids and their anhydrides(Acyl halide\Peroxygenation)Chemicals\Peroxy acid and its halogenation\nitrification\sulfonation\Nitrosative derivative. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

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Additional information on Ethyl 3-Chloro-2,2-dimethylpropanoate

Ethyl 3-Chloro-2,2-Dimethylpropanoate: A Comprehensive Overview

Ethyl 3-Chloro-2,2-Dimethylpropanoate, also known by its CAS number 106315-37-1, is a versatile organic compound with significant applications in various industries. This compound belongs to the ester family and is widely recognized for its unique chemical properties and structural features. The molecule consists of a chlorinated propane backbone with a methyl group substitution, making it a valuable intermediate in organic synthesis. Its structure allows for a wide range of reactivity, which has been extensively explored in recent scientific studies.

Recent advancements in synthetic chemistry have highlighted the potential of Ethyl 3-Chloro-2,2-Dimethylpropanoate as a key building block in the construction of complex molecules. Researchers have demonstrated its utility in the synthesis of pharmaceutical agents, agrochemicals, and specialty chemicals. For instance, studies published in leading journals such as Journal of Organic Chemistry and Chemical Communications have showcased its role in the formation of bioactive compounds with potential therapeutic applications.

The synthesis of Ethyl 3-Chloro-2,2-Dimethylpropanoate typically involves multi-step processes that emphasize the importance of stereochemistry and regioselectivity. One notable method involves the chlorination of a suitable precursor followed by esterification to yield the final product. This approach has been optimized to ensure high yields and purity, making it suitable for large-scale production.

In terms of physical properties, Ethyl 3-Chloro-2,2-Dimethylpropanoate exhibits a melting point of approximately -40°C and a boiling point around 115°C at standard pressure. These characteristics make it ideal for use in various industrial processes where thermal stability is crucial. Additionally, its solubility in common organic solvents such as dichloromethane and diethyl ether facilitates its handling and application in laboratory settings.

One area where Ethyl 3-Chloro-2,2-Dimethylpropanoate has garnered significant attention is its role in the development of advanced materials. Scientists have explored its use as a precursor for the synthesis of polymers with tailored properties. For example, research conducted at leading institutions such as MIT and Stanford University has demonstrated its potential in creating biodegradable polymers for biomedical applications.

The environmental impact of Ethyl 3-Chloro-2,2-Dimethylpropanoate has also been a topic of interest among researchers. Studies have shown that under controlled conditions, the compound undergoes efficient biodegradation, reducing its ecological footprint. This finding aligns with global efforts to develop sustainable chemical processes that minimize environmental harm.

In conclusion, Ethyl 3-Chloro-2,2-Dimethylpropanoate (CAS No: 106315-37-1) stands out as a critical compound with diverse applications across multiple disciplines. Its unique chemical properties, coupled with recent advancements in synthetic methodologies and material science, position it as an essential component in modern chemical innovation. As research continues to uncover new potentials for this compound, its significance in both academic and industrial settings is expected to grow further.

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