2-Methyl-1,3-thiazole-5-carboxylic acid

Base Information

• Chemical Name: 2-Methyl-1,3-thiazole-5-carboxylic acid
• CAS No.: 40004-69-1
• Molecular Formula: C5H5NO2S
• Molecular Weight: 143.166
• Hs Code.: 29341000
• European Community (EC) Number: 691-372-9
• NSC Number: 170606
• DSSTox Substance ID: DTXSID10193073
• Nikkaji Number: J395.170G
• Wikidata: Q27456570
• ChEMBL ID: CHEMBL247134
• Mol file: 40004-69-1.mol

Synonyms:40004-69-1;2-methyl-1,3-thiazole-5-carboxylic acid;2-methylthiazole-5-carboxylic acid;2-Methyl-5-thiazolecarboxylic acid;5-Thiazolecarboxylic acid, 2-methyl-;2-methyl-thiazole-5-carboxylic acid;MFCD01760300;RU 21933;CHEMBL247134;6V9;SCHEMBL186167;DTXSID10193073;2-Methyl-5-thiazolecarboxylicacid;BCP05391;BBL103846;BDBM50216552;NSC170606;STL557656;AKOS005258857;CS-W002825;NSC 170606;NSC-170606;PB12949;PS-5569;AC-24501;CS-10931;RU-21933;SY019257;LS-150886;A6682;AM20100059;FT-0647102;M2626;EN300-55912;2-Methyl-thiazole-5-carboxylic acid 40004-69-1;W-202648;2-Methyl-1,3-thiazole-5-carboxylic acid, AldrichCPR;Q27456570;F8889-4992;Z385373334

Chemical Property of 2-Methyl-1,3-thiazole-5-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.000473mmHg at 25°C
• Refractive Index: 1.598
• Boiling Point: 301.2 °C at 760 mmHg
• Flash Point: 136 °C
• PSA: 78.43000
• Density: 1.418 g/cm³
• LogP: 1.14970
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 143.00409958
• Heavy Atom Count: 9
• Complexity: 128

Purity/Quality:

99% ^*data from raw suppliers

2-Methyl-1,3-thiazole-5-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/39
• Safety Statements: 26-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(S1)C(=O)O

Technology Process of 2-Methyl-1,3-thiazole-5-carboxylic acid

There total 4 articles about 2-Methyl-1,3-thiazole-5-carboxylic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 86.0%

→ 2-methyl-1,3-thiazole-5-carboxylic acid (40004-69-1)

Guidance literature:

Reference yield: 70.0%

ethyl 2-methylthiazole-5-carboxylate (79836-78-5) → 2-methyl-1,3-thiazole-5-carboxylic acid (40004-69-1)

Guidance literature:

With potassium hydroxide; In methanol; water; at 20 ℃;

DOI:10.1021/jacs.6b07927

Reference yield: 70.0%

5-(hydroxymethyl)-2-methylthiazole (56012-38-5) → 2-methyl-1,3-thiazole-5-carboxylic acid (40004-69-1)

Guidance literature:

With potassium phosphate; carbon dioxide; CrH₆Mo₆O₂₄^(3-)*3H₃N*3H⁽¹⁺⁾; In dimethyl sulfoxide; at 80 ℃; for 24h; under 750.075 Torr; Green chemistry;

DOI:10.1039/d0gc00388c

upstream raw materials:

ethyl 2-methylthiazole-5-carboxylate

2-methylthiazole

carbon dioxide

5-(hydroxymethyl)-2-methylthiazole

Downstream raw materials:

2-methyl-thiazole-5-carboxylic acid amide

methyl 2-methylthiazole-5-carboxylate

2-[2-(5-methyl-3-phenyl-isoxazol-4-yl)-ethyl]-thiazole-5-carboxylic acid isopropyl amide

benzyl (2S)-3-methoxy-2-[(2S)-3-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)formamido]propanamido]propanoate

Refernces

• 1、 Han, Sheng,Wang, Ying,Wei, Yongge,Wu, Zhikang,Yu, Han. "Highly efficient oxidation of alcohols to carboxylic acids using a polyoxometalate-supported chromium(iii) catalyst and CO2". . p. 3150 - 3154. Retrieved 2020/06/19.
• 2、 -. "IMMEDIATE RELEASE FORMULATIONS FOR OPROZOMIB". Paragraph 0233; 0238. . Retrieved 2018/04/13.