2-Chloro-4-phenylthiazole

Base Information

• Chemical Name: 2-Chloro-4-phenylthiazole
• CAS No.: 1826-23-9
• Molecular Formula: C9H6 Cl N S
• Molecular Weight: 195.672
• Hs Code.: 2934100090
• European Community (EC) Number: 625-771-6
• DSSTox Substance ID: DTXSID60375726
• Nikkaji Number: J1.251.344E
• Wikidata: Q72457594
• ChEMBL ID: CHEMBL4083424
• Mol file: 1826-23-9.mol

Synonyms:2-Chloro-4-phenylthiazole;1826-23-9;2-chloro-4-phenyl-1,3-thiazole;Thiazole, 2-chloro-4-phenyl-;2-chloro-4-phenyl-thiazole;SCHEMBL956221;CHEMBL4083424;DTXSID60375726;2-Chloro-4-phenylthiazole, 97%;BBL012941;MFCD00956371;STK978376;AKOS002657899;AS-19183;CS-0215710;FT-0633866;EN300-28608;A21552;F19755;J-011686;Z235362563

Chemical Property of 2-Chloro-4-phenylthiazole

Chemical Property:

• Vapor Pressure: 0.000194mmHg at 25°C
• Melting Point: 54-58 ºC
• Boiling Point: 338.3°C at 760 mmHg
• Flash Point: 110 °C
• PSA: 41.13000
• Density: 1.309g/cm³
• LogP: 3.46350
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 194.9909481
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Chloro-4-phenylthiazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CSC(=N2)Cl

Technology Process of 2-Chloro-4-phenylthiazole

There total 4 articles about 2-Chloro-4-phenylthiazole 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: 57.0%

4-phenyl-3H-1,3-thiazol-2-one (3884-31-9) → 2-chloro-4-phenylthiazole (1826-23-9)

Guidance literature:

With trichlorophosphate; Heating / reflux;

Reference yield: 23.0%

2-Amino-4-phenylthiazole (2010-06-2) → 2-chloro-4-phenylthiazole (1826-23-9)

Guidance literature:

With copper dichloride; isopentyl nitrite; In acetonitrile; at 50 ℃; for 3h;

Reference yield:

2-oxo-2-phenylethylthiocyanate (5399-30-4) → 2-chloro-4-phenylthiazole (1826-23-9)

Guidance literature:

With hydrogenchloride; diethyl ether;

upstream raw materials:

4-phenyl-3H-1,3-thiazol-2-one

2-oxo-2-phenylethylthiocyanate

2-Amino-4-phenylthiazole

Downstream raw materials:

2-methyl-4-phenylthiazole

4-phenyl-thiazole

C₁₉H₁₆N₂O₃S

C₂₃H₂₄N₂O₃S

Refernces

• 1、 -. "CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1". Page/Page column 184-185. . Retrieved 2009/03/07.