(2-Phenylthiazol-4-yl)methanol

Base Information

• Chemical Name: (2-Phenylthiazol-4-yl)methanol
• CAS No.: 23780-13-4
• Molecular Formula: C10H9NOS
• Molecular Weight: 191.254
• Hs Code.: 2934100090
• European Community (EC) Number: 689-094-8
• DSSTox Substance ID: DTXSID80380110
• Nikkaji Number: J3.254.312J
• Wikidata: Q82170176
• Mol file: 23780-13-4.mol

Synonyms:(2-phenylthiazol-4-yl)methanol;23780-13-4;(2-phenyl-1,3-thiazol-4-yl)methanol;(2-phenyl-thiazol-4-yl)-methanol;4-(Hydroxymethyl)-2-phenyl-1,3-thiazole;4-hydroxymethyl-2-phenylthiazole;2-Phenylthiazole 4-methanol;2-phenyl-4-thiazolylmethanol;SCHEMBL104951;DTXSID80380110;HNFDKPSDOQRBBX-UHFFFAOYSA-N;YAA78013;MFCD02682017;AKOS000320871;AB12184;AS-9200;SDCCGMLS-0066002.P001;BL007819;4-(HYDROXYMETHYL)-2-PHENYLTHIAZOLE;CS-0094481;FT-0604647;(2-phenyl-1,3-thiazol-4-yl)methanol, AldrichCPR;A816899;W-206852;Z367519782

Chemical Property of (2-Phenylthiazol-4-yl)methanol

Chemical Property:

• Vapor Pressure: 3.37E-06mmHg at 25°C
• Melting Point: 65 °C
• Refractive Index: 1.629
• Boiling Point: 372.2 °C at 760 mmHg
• PKA: 13.14±0.10(Predicted)
• Flash Point: 178.9 °C
• PSA: 61.36000
• Density: 1.264 g/cm³
• LogP: 2.30240
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 191.04048508
• Heavy Atom Count: 13
• Complexity: 159

Purity/Quality:

98%min ^*data from raw suppliers

(2-phenylthiazol-4-yl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 24/25-41-37/38-22
• Safety Statements: 22-36/37/39-39-26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (2-Phenylthiazol-4-yl)methanol

There total 9 articles about (2-Phenylthiazol-4-yl)methanol 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: 94.0%

2-phenylthiazole-4-carboxylic acid ethyl ester (59937-01-8) → (2-phenylthiazol-4-yl)methanol (23780-13-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at -78 ℃; for 2h;

DOI:10.1002/jhet.5570330654

Reference yield: 75.0%

2-phenyl-4-chloromethylthiazole (4771-31-7) → (2-phenylthiazol-4-yl)methanol (23780-13-4)

Guidance literature:

2-phenyl-4-chloromethylthiazole; With sulfuric acid; for 24h; Reflux;

With water; at 20 ℃; for 1h;

DOI:10.2174/15701808113109990015

Reference yield: 72.0%

2-phenyl-1,3-thiazole-4-carboxylic acid methyl ester (7113-02-2) → (2-phenylthiazol-4-yl)methanol (23780-13-4)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at -78 ℃; for 3.83h;

upstream raw materials:

2-phenyl-4-chloromethylthiazole

2-phenylthiazole-4-carboxylic acid ethyl ester

benzenecarbothioamide

acetic acid-(2-phenyl-thiazol-4-ylmethyl ester)

Downstream raw materials:

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

2-amino-3-cyano-7-(dimethylamino)-4-(2-phenylthiazol-4-yl)-4H-chromene

1-(6-fluoro-4-((2-phenylthiazol-4-yl)methoxy)benzofuran-2-yl)ethanone

2-bromo-1-(6-fluoro-4-((2-phenylthiazol-4-yl)methoxy)benzofuran-2-yl)ethanone

Refernces

• 1、 Dang, Xin,Lei, Shuwen,Luo, Shuhua,Hu, Yixin,Wang, Juntao,Zhang, Dongdong,Lu, Dan,Jiang, Faqin,Fu, Lei. "Design, synthesis and biological evaluation of novel thiazole-derivatives as mitochondrial targeting inhibitors of cancer cells". . . Retrieved 2021/06/16.
• 2、 Chen, Yihua,Fan, Tingting,Guo, Weikai,Hu, Pan,Liu, Mingyao,Shao, Ting,Yi, Zhengfang,Zhou, Wenbo. "Design, synthesis and evaluation of phenylthiazole and phenylthiophene pyrimidindiamine derivatives targeting the bacterial membrane". . . Retrieved 2020/02/20.