2-chloro-1,3-thiazole-5-carboxylic Acid

Base Information

• Chemical Name: 2-chloro-1,3-thiazole-5-carboxylic Acid
• CAS No.: 101012-12-8
• Molecular Formula: C4H2ClNO2S
• Molecular Weight: 163.584
• Hs Code.: 2934100090
• European Community (EC) Number: 800-347-5
• DSSTox Substance ID: DTXSID20363225
• Nikkaji Number: J3.259.850A
• Wikidata: Q82146823
• ChEMBL ID: CHEMBL2228305
• Mol file: 101012-12-8.mol

Synonyms:2-chloro-1,3-thiazole-5-carboxylic Acid;101012-12-8;2-chlorothiazole-5-carboxylic acid;5-Thiazolecarboxylic acid, 2-chloro-;MFCD02187331;CHEMBL2228305;2-chloranyl-1,3-thiazole-5-carboxylic acid;2-Chloro-5-thiazolecarboxylic acid;SCHEMBL293931;DTXSID20363225;2-chlorothiazol-5-carboxylic acid;5-Thiazolecarboxylicacid,2-chloro-;AMY18838;BEA01212;CS-B1388;2-chloro-thiazole-5-carboxylic acid;BDBM50486220;AKOS005070906;SB13411;BP-10190;SY019267;FT-0680516;2-Chloro-5-thiazolecarboxylic Acid-13C3,15N;EN300-125509;2-CHLORO-1,3-THIAZOLE-5-CARBOXYLICACID;6R-0067;W-204394;2-Chloro-1,3-thiazole-5-carboxylic acid, AldrichCPR;F0O

Chemical Property of 2-chloro-1,3-thiazole-5-carboxylic Acid

Chemical Property:

• Vapor Pressure: 3.9E-06mmHg at 25°C
• Melting Point: 165.5-167 °C
• Refractive Index: 1.634
• Boiling Point: 370.2 °C at 760 mmHg
• PKA: 2.52±0.10(Predicted)
• Flash Point: 177.7 °C
• PSA: 78.43000
• Density: 1.693 g/cm³
• LogP: 1.49470
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 162.9494772
• Heavy Atom Count: 9
• Complexity: 132

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-1,3-thiazole-5-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(SC(=N1)Cl)C(=O)O

Technology Process of 2-chloro-1,3-thiazole-5-carboxylic Acid

There total 5 articles about 2-chloro-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: 78.0%

2-chloro-1,3-thiazole-5-carbaldehyde (95453-58-0) → 2-chloro-1,3-thiazole-5-carboxylic acid (101012-12-8)

Guidance literature:

With sulfuric acid; nitric acid; In water; at 110 ℃; for 1h;

Reference yield: 74.0%

2-chloro-5-(hydroxymethyl)thiazole (145015-15-2) → 2-chloro-1,3-thiazole-5-carboxylic acid (101012-12-8)

Guidance literature:

With sulfuric acid; nitric acid; In water; at 110 ℃; for 1h;

Reference yield: 72.9%

α-Cl-β-thiazolyl chloride (105827-91-6) → 2-chloro-1,3-thiazole-5-carboxylic acid (101012-12-8)

Guidance literature:

With sulfuric acid; nitric acid; In water; at 110 ℃; for 12h;

upstream raw materials:

ethyl 2-chloro-thiazole-5-carboxylate

2-chloro-thiazole-4-carboxylic acid ethyl ester

2-chloro-5-(hydroxymethyl)thiazole

2-chloro-1,3-thiazole-5-carbaldehyde

Downstream raw materials:

3H-thiazol-2-one

4,5-dihydro-3H,3'H-[4,5']bithiazolyl-2,2'-dione

2-Oxo-2,3-dihydrothiazole-5-carboxylic acid

2-chloro-1,3-thiazole-5-carbonyl chloride

Refernces

• 1、 -. "HETEROCYCLIC AMINO BERBAMINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF". Paragraph 0095; 0098. . Retrieved 2013/07/25.