(2-Chloro-3-fluorophenyl)methanol

Base Information

• Chemical Name: (2-Chloro-3-fluorophenyl)methanol
• CAS No.: 96516-32-4
• Molecular Formula: C7H6ClFO
• Molecular Weight: 160.575
• Hs Code.: 2906290090
• European Community (EC) Number: 973-840-7
• DSSTox Substance ID: DTXSID90604016
• Wikidata: Q82501679
• Mol file: 96516-32-4.mol

Synonyms:(2-Chloro-3-fluorophenyl)methanol;96516-32-4;2-chloro-3-fluorobenzyl alcohol;(2-Chloro-3-fluoro-phenyl)-methanol;Benzenemethanol, 2-chloro-3-fluoro-;SCHEMBL6724455;DTXSID90604016;(2-Chloro-3-fluorophenyl)-methanol;CL8694;MFCD11042776;AKOS006308346;MS-9827;DB-302955;CS-0192527;EN300-124848;A858688;Z1198306358

Chemical Property of (2-Chloro-3-fluorophenyl)methanol

Chemical Property:

• PSA: 20.23000
• LogP: 1.97140
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 160.0091207
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

98.5% ^*data from raw suppliers

(2-Chloro-3-fluorophenyl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)F)Cl)CO

Technology Process of (2-Chloro-3-fluorophenyl)methanol

There total 1 articles about (2-Chloro-3-fluorophenyl)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: 96.0%

3-chloro-3-fluorobenzoic acid (102940-86-3) → (2-chloro-3-fluorophenyl)methanol (96516-32-4)

Guidance literature:

With borane-THF; In tetrahydrofuran; at -15 - 50 ℃; for 5.33333h; Inert atmosphere;

DOI:10.1021/jm900460z

Reference yield: 99.0%

(2-chloro-3-fluorophenyl)methanol (96516-32-4) → 1-(bromomethyl)-2-chloro-3-fluorobenzene (874285-19-5)

Guidance literature:

(2-chloro-3-fluorophenyl)methanol; With methanesulfonyl chloride; triethylamine; In tetrahydrofuran; at 0 ℃; for 1h; Inert atmosphere;

With lithium bromide; In tetrahydrofuran; at 0 ℃; for 1.25h; Inert atmosphere;

DOI:10.1021/jm900460z

Reference yield:

(2-chloro-3-fluorophenyl)methanol (96516-32-4) → 2-chloro-3-fluoro-benzaldehyde (96516-31-3)

Guidance literature:

(2-chloro-3-fluorophenyl)methanol; With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -78 - -40 ℃; for 1h;

With triethylamine; In dichloromethane; at -40 - 20 ℃;

DOI:10.1016/j.bmc.2011.01.065

upstream raw materials:

3-chloro-3-fluorobenzoic acid

Downstream raw materials:

1-(bromomethyl)-2-chloro-3-fluorobenzene

N-{4-chloro-2-[(2-chloro-3-fluorophenyl)hydroxymethyl]-phenyl}-2,2-dimethylpropionamide

[5-chloro-2-(2,2-dimethylpropylamino)phenyl]-(2-chloro-3-fluorophenyl)methanol

2-chloro-3-fluoro-benzaldehyde

Refernces

• 1、 Ichikawa, Masanori,Yokomizo, Aki,Itoh, Masao,Sugita, Kazuyuki,Usui, Hiroyuki,Shimizu, Hironari,Suzuki, Makoto,Terayama, Koji,Kanda, Akira. "Discovery of a new 2-aminobenzhydrol template for highly potent squalene synthase inhibitors". experimental part. p. 1930 - 1949. Retrieved 2011/05/03.