4-Phenylthiazole

Base Information

• Chemical Name: 4-Phenylthiazole
• CAS No.: 1826-12-6
• Molecular Formula: C9H7NS
• Molecular Weight: 161.227
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID80171308
• Nikkaji Number: J143.994D
• Wikidata: Q72498877
• Mol file: 1826-12-6.mol

Synonyms:4-Phenylthiazole;4-Phenyl-1,3-thiazole;1826-12-6;4-Phenyl-thiazole;THIAZOLE, 4-PHENYL-;BRN 0114779;4-27-00-01142 (Beilstein Handbook Reference);4-Phenyl-1,3-thiazole #;SCHEMBL679707;AMY4295;DTXSID80171308;BBL020542;MFCD00092820;STK893231;AKOS001476105;SB34592;AS-48274;LS-151035;CS-0163657;FT-0653804;EN300-138484;F30143;A812710

Chemical Property of 4-Phenylthiazole

Chemical Property:

• Vapor Pressure: 4.23E-08mmHg at 25°C
• Refractive Index: 1.607
• Boiling Point: 292.673 °C at 760 mmHg
• Flash Point: 135.402 °C
• PSA: 41.13000
• Density: 1.173 g/cm³
• LogP: 2.81010
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 161.02992040
• Heavy Atom Count: 11
• Complexity: 121

Purity/Quality:

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

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Phenylthiazole

There total 36 articles about 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: 40.0%

2-Amino-4-phenylthiazole (2010-06-2) → 4-phenyl-thiazole (1826-12-6)

Guidance literature:

With tetrahydrofuran; oxygen; nitrogen(II) oxide; for 8h; Ambient temperature;

DOI:10.1248/cpb.45.1547

Reference yield: 22.0%

ethyl acrylate (140-88-5,9003-32-1) + 2-bromo-4-phenyl-1,3-thiazole (57516-16-2) → 4-phenyl-thiazole (1826-12-6) + 4,4'-diphenyl-2,2'-bithiazole (4072-63-3) + (E)-3-(4-Phenyl-thiazol-2-yl)-acrylic acid ethyl ester (111600-96-5)

Guidance literature:

With triethylamine; palladium diacetate; In N,N-dimethyl-formamide; at 130 ℃; for 24h; sealed tube;

Reference yield: 19.0%

2-bromo-4-phenyl-1,3-thiazole (57516-16-2) → 4-phenyl-thiazole (1826-12-6) + 4,4'-diphenyl-2,2'-bithiazole (4072-63-3) + (E)-3-(4-Phenyl-thiazol-2-yl)-acrylic acid ethyl ester (111600-96-5)

Guidance literature:

With triethylamine; ethyl acrylate; palladium diacetate; In N,N-dimethyl-formamide; at 130 ℃; for 24h; sealed tube;

upstream raw materials:

4-phenylthiazole-2-carboxylic acid

(4-phenyl-thiazol-2-yl)hydrazine hydrochloride

formamide

1-chloroacetophenone

Downstream raw materials:

2,4-diphenylthiazole

4,5-diphenylthiazole

5-(4-methylphenyl)-4-phenylthiazole

5-(4-methoxyphenyl)-4-phenylthiazole

Refernces

• 1、 Ban, Kazuho,Miki, Yuya,Sajiki, Hironao,Sawama, Yoshinari,Tomita, Naohito. "Synthesis of 1-Pyrroline by Denitrogenative Ring Expansion of Cyclobutyl Azides under Thermal Conditions". . p. 3481 - 3484. Retrieved 2021/06/17.
• 2、 Arisawa, Mieko,Nihei, Yuri,Yamaguchi, Masahiko. "Rhodium-catalyzed 2-methylthiolation reaction of thiazoles/oxazoles using 2-(methylthio)thiazole". . p. 939 - 949. Retrieved 2015/03/04.