1,3-Thiazole-2-carbonyl chloride

Base Information

• Chemical Name: 1,3-Thiazole-2-carbonyl chloride
• CAS No.: 30216-57-0
• Molecular Formula: C4H2ClNOS
• Molecular Weight: 147.585
• Hs Code.: 29349990
• European Community (EC) Number: 638-917-9
• DSSTox Substance ID: DTXSID60383583
• Wikidata: Q72508232
• Mol file: 30216-57-0.mol

Synonyms:1,3-thiazole-2-carbonyl chloride;30216-57-0;thiazole-2-carbonyl chloride;1,3-Thiazole-2-carbonylchloride;1,3-thiazole-2-carbonyl-chloride;SCHEMBL149729;thiazole carboxylic acid chloride;1,3-thiazole-2carbonyl chloride;DTXSID60383583;HKZCFGQSWLWNQA-UHFFFAOYSA-N;MFCD06658970;AKOS006345239;FS-6180;BP-10617;A820262;J-503947

Chemical Property of 1,3-Thiazole-2-carbonyl chloride

Chemical Property:

• Vapor Pressure: 0.0299mmHg at 25°C
• Melting Point: 54-58 °C
• Refractive Index: 1.583
• Boiling Point: 244.7 °C at 760 mmHg
• PKA: -0.51±0.10(Predicted)
• Flash Point: 101.8 °C
• PSA: 58.20000
• Density: 1.497 g/cm³
• LogP: 1.52210
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 146.9545626
• Heavy Atom Count: 8
• Complexity: 108

Purity/Quality:

99% ^*data from raw suppliers

1,3-Thiazole-2-carbonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 14-22-29-34-36
• Safety Statements: 22-26-30-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,3-Thiazole-2-carbonyl chloride

There total 3 articles about 1,3-Thiazole-2-carbonyl chloride 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: 70.0%

thiazole-2-carboxylic acid; sodium salt → 1,3-thiazole-2-carbonyl chloride (30216-57-0)

Guidance literature:

With thionyl chloride; for 2h; Heating;

Reference yield: 68.0%

phosgene (75-44-5) + 2-(trimethylsilyl)thiazole (79265-30-8) → 1,3-thiazole-2-carbonyl chloride (30216-57-0)

Guidance literature:

In dichloromethane; at 0 ℃; for 15h;

Reference yield:

1,3-thiazole-2-carboxylic acid (14190-59-1) → 1,3-thiazole-2-carbonyl chloride (30216-57-0)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; for 2h; Reflux;

DOI:10.1039/c3ob40236c

upstream raw materials:

phosgene

2-(trimethylsilyl)thiazole

1,3-thiazole-2-carboxylic acid

Downstream raw materials:

thiazole-2-carboxylic acid phenyl ester

C₃₂H₄₃N₇O₅S

C₂₄H₂₄N₆O₂S

2-(3-chlorobenzo[b]thiophene-2-carboxamido)-4-(thiazole-2-carboxamido)benzoic acid methyl ester

Refernces

• 1、 Wu, Deyan,Zhang, Tianhua,Chen, Yiping,Huang, Yadan,Geng, Haiju,Yu, Yanfa,Zhang, Chen,Lai, Zengwei,Wu, Yinuo,Guo, Xiaolei,Chen, Jianwen,Luo, Hai-Bin. "Discovery and Optimization of Chromeno[2,3-c]pyrrol-9(2H)-ones as Novel Selective and Orally Bioavailable Phosphodiesterase 5 Inhibitors for the Treatment of Pulmonary Arterial Hypertension". . p. 6622 - 6637. Retrieved 2017/08/17.
• 2、 -. "ANTIPARASITIC TERPENE ALKALOIDS". Page 173. . Retrieved 2008/06/13.