2-Chloro-5-fluorobenzyl alcohol

Base Information

• Chemical Name: 2-Chloro-5-fluorobenzyl alcohol
• CAS No.: 261762-59-8
• Molecular Formula: C7H6 Cl F O
• Molecular Weight: 160.575
• Hs Code.: 2906299090
• European Community (EC) Number: 670-711-4
• DSSTox Substance ID: DTXSID30378587
• Wikidata: Q82168070
• Mol file: 261762-59-8.mol

Synonyms:2-Chloro-5-fluorobenzyl alcohol;261762-59-8;(2-chloro-5-fluorophenyl)methanol;2-CHLORO-5-FLUOROBENZYLALCOHOL;benzenemethanol, 2-chloro-5-fluoro-;Benzenemethanol,2-chloro-5-fluoro-;(2-chloro-5-fluoro-phenyl)-methanol;SCHEMBL810490;2-Chloro-5-fluorobenzenemethanol;DTXSID30378587;VTZKFYRHXVQMQL-UHFFFAOYSA-N;NEODYMIUMCARBONATEOCTAHYDRATE;MFCD01631418;AKOS006227806;AM62546;CS-W013267;DS-2130;2-CHLORO-5-FLUORO-BENZYL ALCOHOL;2-Chloro-5-fluorobenzyl alcohol, AldrichCPR;FT-0676209;EN300-1968378;A877335;J-508823

Chemical Property of 2-Chloro-5-fluorobenzyl alcohol

Chemical Property:

• Vapor Pressure: 0.0387mmHg at 25°C
• Melting Point: 68-72°C
• Refractive Index: 1.542
• Boiling Point: 229.6°Cat760mmHg
• Flash Point: 92.7°C
• PSA: 20.23000
• Density: 1.344g/cm³
• LogP: 1.97140
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.3
• 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:

99% ^*data from raw suppliers

2-Chloro-5-fluorobenzylalcohol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)CO)Cl

Technology Process of 2-Chloro-5-fluorobenzyl alcohol

There total 3 articles about 2-Chloro-5-fluorobenzyl alcohol 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: 80.0%

2-chloro-5-fluorobenzaldehyde (84194-30-9) → (2-chloro-5-fluorophenyl)methanol (261762-59-8)

Guidance literature:

With methanol; C₂₅H₂₉ClNO₂Rh; caesium carbonate; at 90 ℃; for 1h;

DOI:10.1039/c8cc06612d

Reference yield:

2-chloro-5-fluoro-benzoic acid (2252-50-8) → (2-chloro-5-fluorophenyl)methanol (261762-59-8)

Guidance literature:

2-chloro-5-fluoro-benzoic acid; With borane-THF; In tetrahydrofuran; at 0 ℃; Reflux;

With hydrogenchloride; In tetrahydrofuran; water; ethyl acetate; Cooling with ice;

DOI:10.1016/j.bmc.2011.01.065

Reference yield:

methyl 2-chloro-5-fluorobenzoate (647020-63-1) → (2-chloro-5-fluorophenyl)methanol (261762-59-8)

Guidance literature:

With methanol; sodium tetrahydroborate; at 20 ℃; for 1h;

upstream raw materials:

2-chloro-5-fluoro-benzoic acid

methyl 2-chloro-5-fluorobenzoate

2-chloro-5-fluorobenzaldehyde

Downstream raw materials:

N-{4-chloro-2-[(2-chloro-5-fluorophenyl)(hydroxy)-methyl]phenyl}-2,2-dimethylpropanamide

{5-chloro-2-[(2,2-dimethylpropyl)amino]phenyl}(2-chloro-5-fluorophenyl)methanol

2-chloro-5-fluorobenzaldehyde

1-(bromomethyl)-2-chloro-5-fluorobenzene

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.