(2-Chloro-1,3-thiazol-5-yl)methanol

Base Information

• Chemical Name: (2-Chloro-1,3-thiazol-5-yl)methanol
• CAS No.: 145015-15-2
• Molecular Formula: C4H4ClNOS
• Molecular Weight: 149.601
• Hs Code.: 2934100090
• European Community (EC) Number: 672-882-0
• DSSTox Substance ID: DTXSID00376792
• Wikidata: Q72451897
• Mol file: 145015-15-2.mol

Synonyms:145015-15-2;(2-Chlorothiazol-5-yl)methanol;(2-chloro-1,3-thiazol-5-yl)methanol;2-Chloro-5-hydroxymethylthiazole;5-Thiazolemethanol, 2-chloro-;2-chloro-5-(hydroxymethyl)thiazole;SCHEMBL281998;DTXSID00376792;2-chloro-5-hydroxymethyl-thiazole;PEOOQVDIOJQJHW-UHFFFAOYSA-N;2-Chloro-5-hydroxymethyl thiazole;AMY32107;VFA01515;MFCD03001277;AKOS005071000;s12230;2-Chloro-5-(hydroxymethyl)-1,3-thiazole;CS-0067979;FT-0680575;7N-099;EN300-127405;A884683;(2-Chloro-1,3-thiazol-5-yl)methanol, AldrichCPR

Chemical Property of (2-Chloro-1,3-thiazol-5-yl)methanol

Chemical Property:

• Vapor Pressure: 0.000427mmHg at 25°C
• Boiling Point: 96oC 0,2mm
• PKA: 13.25±0.10(Predicted)
• Flash Point: 136.9oC
• PSA: 61.36000
• Density: 1.528g/cm3
• LogP: 1.28880
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 148.9702126
• Heavy Atom Count: 8
• Complexity: 82.4

Purity/Quality:

99% ^*data from raw suppliers

(2-Chloro-1,3-thiazol-5-yl)methanol ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(SC(=N1)Cl)CO

Technology Process of (2-Chloro-1,3-thiazol-5-yl)methanol

There total 4 articles about (2-Chloro-1,3-thiazol-5-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: 94.4%

tricaprylylmethyl ammoniumchloride + tert-butyl methyl ether (1634-04-4) + pyrographite (7440-44-0) + α-Cl-β-thiazolyl chloride (105827-91-6) → 2-chloro-5-(hydroxymethyl)thiazole (145015-15-2)

Guidance literature:

With sodium hydroxide; aq. NaOH; sodium formate; In n-heptane;

Reference yield: 82.0%

2-chloro-1,3-thiazole-5-carbaldehyde (95453-58-0) → 2-chloro-5-(hydroxymethyl)thiazole (145015-15-2)

Guidance literature:

2-chloro-1,3-thiazole-5-carbaldehyde; With sodium tetrahydroborate; In ethanol; for 1h;

With water; ammonium chloride; In ethanol;

Reference yield:

α-Cl-β-thiazolyl chloride (105827-91-6) → 2-chloro-5-(hydroxymethyl)thiazole (145015-15-2)

Guidance literature:

With sodium carbonate; In water;

upstream raw materials:

2-chloro-1,3-thiazole-5-carbaldehyde

α-Cl-β-thiazolyl chloride

tert-butyl methyl ether

pyrographite

Downstream raw materials:

thiazol-5-yl-methanol

2-chloro-1,3-thiazole-5-carboxylic acid

α-Cl-β-thiazolyl chloride

(2-chloro-thiazol-5-yl)methyl-3-phenyl-2-propenoate

Refernces

• 1、 -. "2-CHLORO-1,3-THIAZOLE-5-METHANOL DERIVATIVE, ITS MANUFACTURING METHOD AND AGRICULTURAL/HORTICULTURAL DISEASE-CONTROLLING AGENT". Page/Page column 8. . Retrieved 2010/02/11.
• 2、 -. "Intermediate thiazoles and process for the preparation of 2-chloro-5-chloromethyl-thiazole". . . Retrieved 2008/06/13.