2-Phenyl-1,3-thiazole-4-carbonyl chloride

Base Information

• Chemical Name: 2-Phenyl-1,3-thiazole-4-carbonyl chloride
• CAS No.: 36094-04-9
• Molecular Formula: C10H6ClNOS
• Molecular Weight: 223.683
• Hs Code.: 29349990
• DSSTox Substance ID: DTXSID70380109
• Wikidata: Q82170175
• Mol file: 36094-04-9.mol

Synonyms:2-phenyl-1,3-thiazole-4-carbonyl chloride;36094-04-9;2-phenylthiazole-4-carbonyl chloride;4-Thiazolecarbonylchloride, 2-phenyl-;2-phenyl-thiazole-4-carbonyl chloride;2-PHENYL-1,3-THIAZOLE-4-CARBONYLCHLORIDE;SCHEMBL168291;DTXSID70380109;ZZFOIDMEHXGBKS-UHFFFAOYSA-N;2-phenylthiazole-4-carbonylchloride;MFCD02681968;AKOS022260490;PS-10726;FT-0613306;J-510242;2-phenyl-1,3-thiazole-4-carbonyl chloride, AldrichCPR

Chemical Property of 2-Phenyl-1,3-thiazole-4-carbonyl chloride

Chemical Property:

• Vapor Pressure: 2.57E-05mmHg at 25°C
• Melting Point: 100 °C
• Refractive Index: 1.62
• Boiling Point: 358.3 °C at 760 mmHg
• Flash Point: 170.5 °C
• PSA: 58.20000
• Density: 1.365 g/cm³
• LogP: 3.18910
• Sensitive.: Moisture Sensitive
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 222.9858627
• Heavy Atom Count: 14
• Complexity: 218

Purity/Quality:

99% ^*data from raw suppliers

2-Phenyl-1,3-thiazole-4-carbonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xi
• Statements: 34-36
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC(=CS2)C(=O)Cl

Technology Process of 2-Phenyl-1,3-thiazole-4-carbonyl chloride

There total 5 articles about 2-Phenyl-1,3-thiazole-4-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:

2-phenyl-1,3-thiazole-4-carboxylic acid (7113-10-2) → 2-phenyl-1,3-thiazole-4-carboxylic acid chloride (36094-04-9)

Guidance literature:

With thionyl chloride;

DOI:10.1021/ja01249a002

Reference yield:

benzenecarbothioamide (2227-79-4) → 2-phenyl-1,3-thiazole-4-carboxylic acid chloride (36094-04-9)

Guidance literature:

Multi-step reaction with 3 steps

1: ethanol / 75 °C

2: aq. KOH / 50 °C

3: oxalyl chloride; DMF / CH₂Cl₂ / 20 °C

With potassium hydroxide; oxalyl dichloride; N,N-dimethyl-formamide; In ethanol; dichloromethane;

DOI:10.1016/S0960-894X(03)00726-1

Reference yield:

2-phenylthiazole-4-carboxylic acid ethyl ester (59937-01-8) → 2-phenyl-1,3-thiazole-4-carboxylic acid chloride (36094-04-9)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. KOH / 50 °C

2: oxalyl chloride; DMF / CH₂Cl₂ / 20 °C

With potassium hydroxide; oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane;

DOI:10.1016/S0960-894X(03)00726-1

upstream raw materials:

2-phenyl-1,3-thiazole-4-carboxylic acid

2-phenylthiazole-4-carboxylic acid ethyl ester

benzenecarbothioamide

2-phenyl-4-chloromethylthiazole

Downstream raw materials:

2-phenyl-1,3-thiazole-4-carboxamide

2-diazo-1-(2-phenyl-thiazol-4-yl)-ethanone

2-chloro-1-(2-phenyl-thiazol-4-yl)-ethanone

4-methyl-2-phenyl-thiazole

Refernces

• 1、 Okita, Toshimasa,Muto, Kei,Yamaguchi, Junichiro. "Decarbonylative Methylation of Aromatic Esters by a Nickel Catalyst". supporting information. p. 3132 - 3135. Retrieved 2018/05/28.
• 2、 -. "IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION". Paragraph 00218. . Retrieved 2013/11/18.