Cas no 2224-10-4 (4-Carboxy Tolbutamide)

4-Carboxy Tolbutamide is a key intermediate in the synthesis of tolbutamide, a first-generation sulfonylurea antidiabetic agent. This compound features a carboxyl functional group, which enhances its reactivity and utility in further chemical modifications. Its high purity and stability make it suitable for pharmaceutical research and development, particularly in the study of hypoglycemic agents. The presence of the carboxy group allows for precise derivatization, enabling the exploration of structure-activity relationships in drug design. 4-Carboxy Tolbutamide is commonly used in analytical applications, such as metabolite identification and pharmacokinetic studies, due to its well-defined chemical properties and compatibility with chromatographic techniques.
4-Carboxy Tolbutamide structure
4-Carboxy Tolbutamide structure
Product Name:4-Carboxy Tolbutamide
CAS No:2224-10-4
MF:C12H16N2O5S
MW:300.330842018127
CID:267232
PubChem ID:329827662
Update Time:2025-06-08

4-Carboxy Tolbutamide Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,4-[[[(butylamino)carbonyl]amino]sulfonyl]-
    • 4-Carboxy Tolbutamide
    • 4-(butylcarbamoylsulfamoyl)benzoic acid
    • Carboxytolbutamide
    • N-Butyl-N'-(4-carboxyphenylsulfonyl)urea
    • N-Butyl-N′-(4-carboxyphenylsulfonyl)urea
    • AKOS008132335
    • BENZOIC ACID, 4-((((BUTYLAMINO)CARBONYL)AMINO)SULFONYL)-
    • N-Butyl-N -(4-carboxyphenylsulfonyl)urea
    • Z425552398
    • FT-0664372
    • 4-{[(butylcarbamoyl)amino]sulfonyl}benzoic acid
    • UNII-JGR4FM80VY
    • BS-16644
    • N-(4-Carboxybenzenesulfonyl)-N-butylurea
    • 4-(((Butylamino)carbonyl)amino)sulfonylbenzoic acid
    • 4-{[(butyl-C-hydroxycarbonimidoyl)amino]sulfonyl}benzoic acid
    • 4-(N-(Butylcarbamoyl)sulfamoyl)benzoic acid
    • 1-Butyl-3-(4-carboxyphenyl)sulfonylurea
    • D81827
    • Tolbutamide carboxylic acid
    • p-[(Butylcarbamoyl)sulfamoyl]-benzoic Acid;Tolbutamide Carboxylic Acid
    • 4-[[[(Butylamino)carbonyl]amino]sulfonyl]-benzoic Acid
    • DTXSID10176780
    • CHEBI:165189
    • 4-(butylcarbamoylsulamoyl)benzoic acid
    • 4-Carboxy Tolbutamide-d9
    • N-Butyl-N''-(4-carboxyphenylsulfonyl)urea
    • Q27281500
    • Carboxycarbutamide
    • 1184973-50-9
    • J-014603
    • MFCD00272697
    • 2224-10-4
    • 1-Butyl-3-(p-carboxyphenyl)sulfonylurea
    • SCHEMBL1478625
    • NCGC00165936-01
    • GCMVATDSSHTCOS-UHFFFAOYSA-N
    • JGR4FM80VY
    • DTXCID6099271
    • 4-Carboxytolbutamide
    • 4-[(butylcarbamoyl)sulfamoyl]benzoic acid
    • 4-(((butyl-C-hydroxycarbonimidoyl)amino)sulfonyl)benzoic acid
    • MDL: MFCD00272697
    • Inchi: 1S/C12H16N2O5S/c1-2-3-8-13-12(17)14-20(18,19)10-6-4-9(5-7-10)11(15)16/h4-7H,2-3,8H2,1H3,(H,15,16)(H2,13,14,17)
    • InChI Key: GCMVATDSSHTCOS-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C(=O)O)=CC=1)(NC(NCCCC)=O)(=O)=O

Computed Properties

  • Exact Mass: 300.07800
  • Monoisotopic Mass: 300.078
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 8
  • Complexity: 435
  • 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: 1.7
  • Topological Polar Surface Area: 121A^2

Experimental Properties

  • Density: 1.337
  • Melting Point: 210-212?°C
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.558
  • Solubility: methanol: soluble
  • PSA: 120.95000
  • LogP: 3.03540

4-Carboxy Tolbutamide Security Information

  • Symbol: GHS05
  • Signal Word:Danger
  • Hazard Statement: H318
  • Warning Statement: P280-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 41
  • Safety Instruction: 26-39
  • Hazardous Material Identification: Xi
  • Risk Phrases:R41
  • Storage Condition:2-8°C

4-Carboxy Tolbutamide Customs Data

  • HS CODE:2935009090
  • Customs Data:

    China Customs Code:

    2935009090

    Overview:

    2935009090 Other sulphonates(Acyl)amine. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:35.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

4-Carboxy Tolbutamide Pricemore >>

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4-Carboxy Tolbutamide Production Method

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