Cas no 79312-41-7 (dimethyl-1,3-thiazole-2-carboxylic acid)

dimethyl-1,3-thiazole-2-carboxylic acid structure
79312-41-7 structure
Product Name:dimethyl-1,3-thiazole-2-carboxylic acid
CAS No:79312-41-7
MF:C6H7NO2S
MW:157.190280199051
MDL:MFCD11934399
CID:554726
PubChem ID:21505510
Update Time:2025-09-20

dimethyl-1,3-thiazole-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4,5-Dimethylthiazole-2-carboxylic acid
    • 2-Thiazolecarboxylicacid, 4,5-dimethyl-
    • 4,5-dimethyl-1,3-thiazole-2-carboxylic acid
    • Dimethyl-1,3-thiazole-2-carboxylic acid
    • 2-thiazolecarboxylic acid,4,5-dimethyl
    • 4,5-Dimethyl-thiazol-2-carbonsaeure
    • 4,5-dimethyl-thiazole-2-carboxylic acid
    • 2-Thiazolecarboxylic acid, 4,5-dimethyl-
    • ICWKPMXHMDXUNE-UHFFFAOYSA-N
    • 9829AE
    • 4,5-Dimethylthiazole-2-carboxylicacid
    • SY022801
    • FT-0743601
    • SCHEMBL11833656
    • CS-0186918
    • s10220
    • 4 pound not5-Dimethylthiazole-2-carboxylic Acid
    • 79312-41-7
    • AMY9060
    • AKOS015967778
    • 2-thiazolecarboxylic acid,4,5-dimethyl-
    • AH-0719
    • DTXSID00615198
    • 2-Thiazolecarboxylic acid,4,5-dimethyl-
    • SB38800
    • A864881
    • MFCD11934399
    • EN300-183134
    • 4,5-Dimethyl-2-thiazolecarboxylic acid (ACI)
    • DB-082999
    • dimethyl-1,3-thiazole-2-carboxylic acid
    • MDL： MFCD11934399
    • Inchi： 1S/C6H7NO2S/c1-3-4(2)10-5(7-3)6(8)9/h1-2H3,(H,8,9)
    • InChI Key： ICWKPMXHMDXUNE-UHFFFAOYSA-N
    • SMILES： O=C(C1SC(C)=C(C)N=1)O

Computed Properties

  • Exact Mass: 157.02000
  • Monoisotopic Mass: 157.02
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 151
  • 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
  • Topological Polar Surface Area: 78.4
  • XLogP3: 1.6

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.3±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 333.7±45.0℃ at 760 mmHg
  • Flash Point: 155.6±28.7 °C
  • PSA: 78.43000
  • LogP: 1.45810
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

dimethyl-1,3-thiazole-2-carboxylic acid Security Information

dimethyl-1,3-thiazole-2-carboxylic acid Customs Data

  • HS CODE：2934100090
  • Customs Data：

    China Customs Code:

    2934100090

    Overview:

    2934100090. Compounds that structurally contain a non fused thiazole ring(Whether hydrogenated or not). VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

dimethyl-1,3-thiazole-2-carboxylic acid Pricemore >>

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dimethyl-1,3-thiazole-2-carboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Ethanol ,  Water ;  rt → reflux; 4 h, reflux
1.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 2, cooled
Reference
Synthesis and factor Xa inhibitory activity of rivaroxaban derivatives
Gao, Nana; Sun, Hongbin, Zhongguo Yaoke Daxue Xuebao, 2011, 42(5), 392-399

Production Method 2

Reaction Conditions
1.1 Reagents: Butyllithium ,  Carbon dioxide
Reference
Use of thiazolium-2-carboxylates to induce benzoin condensations
Castells, J.; Calahorra, F. Lopez; Domingo, L., Tetrahedron Letters, 1985, 26(44), 5457-8

dimethyl-1,3-thiazole-2-carboxylic acid Raw materials

dimethyl-1,3-thiazole-2-carboxylic acid Preparation Products

dimethyl-1,3-thiazole-2-carboxylic acid Related Literature

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