Cas no 43094-86-6 (1-butyl-5-oxopyrrolidine-3-carboxylic acid)

1-Butyl-5-oxopyrrolidine-3-carboxylic acid is a pyrrolidone derivative with a carboxylic acid functional group at the 3-position and a butyl substituent at the 1-position. This compound is of interest in synthetic organic chemistry due to its versatile reactivity, serving as a building block for the preparation of more complex heterocyclic structures. The presence of both a carbonyl and carboxyl group allows for further functionalization, making it useful in pharmaceutical and agrochemical research. Its structural features also contribute to potential applications in coordination chemistry and as an intermediate in the synthesis of bioactive molecules. The compound is typically characterized by its stability and well-defined crystalline properties.
1-butyl-5-oxopyrrolidine-3-carboxylic acid structure
43094-86-6 structure
Product Name:1-butyl-5-oxopyrrolidine-3-carboxylic acid
CAS No:43094-86-6
MF:C9H15NO3
MW:185.220302820206
MDL:MFCD04989720
CID:928739
PubChem ID:3016409
Update Time:2025-06-07

1-butyl-5-oxopyrrolidine-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-butyl-5-oxopyrrolidine-3-carboxylic acid
    • 1-butyl-5-oxo-3-pyrrolidinecarboxylic acid
    • 1-butyl-5-oxo-pyrrolidine-3-carboxylic acid
    • EINECS 256-084-6
    • 1-Butyl-5-oxo-3-pyrrolidinecarboxylic acid, AldrichCPR
    • MFCD04989720
    • NS00057848
    • BBL002407
    • VS-01066
    • DTXSID10962887
    • AKOS016040990
    • 1-Butyl-5-oxopyrrolidine-3-carboxylicacid
    • SCHEMBL2892450
    • LLPSQGIRADJCIU-UHFFFAOYSA-N
    • STK288068
    • AKOS000152219
    • 43094-86-6
    • MDL： MFCD04989720
    • Inchi： 1S/C9H15NO3/c1-2-3-4-10-6-7(9(12)13)5-8(10)11/h7H,2-6H2,1H3,(H,12,13)
    • InChI Key： LLPSQGIRADJCIU-UHFFFAOYSA-N
    • SMILES： O=C1CC(C(=O)O)CN1CCCC

Computed Properties

  • Exact Mass: 185.10500
  • Monoisotopic Mass: 185.10519334g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 215
  • 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: 0.2
  • Topological Polar Surface Area: 57.6?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 375.6±35.0 °C at 760 mmHg
  • Flash Point: 180.9±25.9 °C
  • PSA: 57.61000
  • LogP: 0.65750
  • Vapor Pressure: 0.0±1.8 mmHg at 25°C

1-butyl-5-oxopyrrolidine-3-carboxylic acid Security Information

1-butyl-5-oxopyrrolidine-3-carboxylic acid Customs Data

  • HS CODE：2933790090
  • Customs Data：

    China Customs Code:

    2933790090

    Overview:

    2933790090 Other lactams. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:9.0% general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. General tariff:20.0%

1-butyl-5-oxopyrrolidine-3-carboxylic acid Pricemore >>

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1-butyl-5-oxopyrrolidine-3-carboxylic acid Production Method

1-butyl-5-oxopyrrolidine-3-carboxylic acid Related Literature

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