3-Chloro-2-fluorobenzyl alcohol

Base Information

• Chemical Name: 3-Chloro-2-fluorobenzyl alcohol
• CAS No.: 261723-30-2
• Molecular Formula: C7H6 Cl F O
• Molecular Weight: 160.575
• Hs Code.: 2906299090
• European Community (EC) Number: 670-710-9
• DSSTox Substance ID: DTXSID90378588
• Nikkaji Number: J2.327.182F
• Wikidata: Q82168072
• Mol file: 261723-30-2.mol

Synonyms:3-Chloro-2-fluorobenzyl alcohol;261723-30-2;(3-chloro-2-fluorophenyl)methanol;Benzenemethanol, 3-chloro-2-fluoro-;(3-Chloro-2-fluoro-phenyl)-methanol;3-CHLORO-2-FLUOROBENZYLALCOHOL;SCHEMBL92912;3-Chloro-2-fluorophenylmethanol;DTXSID90378588;SSCVUXTVZOTMJU-UHFFFAOYSA-N;MFCD01631549;AKOS006227781;PS-8776;CS-0194136;FT-0676172;EN300-1982019;J-016297

Chemical Property of 3-Chloro-2-fluorobenzyl alcohol

Chemical Property:

• Vapor Pressure: 0.0255mmHg at 25°C
• Refractive Index: 1.542
• Boiling Point: 236.8°Cat760mmHg
• PKA: 13.61±0.10(Predicted)
• Flash Point: 97°C
• PSA: 20.23000
• Density: 1.344g/cm³
• 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%min ^*data from raw suppliers

3-Chloro-2-fluorobenzyl alcohol 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Chloro-2-fluorobenzyl alcohol

There total 4 articles about 3-Chloro-2-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: 97.0%

3‐chloro‐2‐fluorobenzoic acid (161957-55-7) → (3-chloro-2-fluorophenyl)methanol (261723-30-2)

Guidance literature:

With sodium tetrahydroborate; dimethyl sulfate; In tetrahydrofuran; at 50 - 60 ℃; for 3h; Temperature; Reagent/catalyst;

Reference yield:

2-fluoro-3-chlorobenzaldehyde (85070-48-0) → (3-chloro-2-fluorophenyl)methanol (261723-30-2)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; at 20 ℃; for 0.5h; Inert atmosphere;

Reference yield:

3-chloro-2-fluorobenzonitrile (94087-40-8) → (3-chloro-2-fluorophenyl)methanol (261723-30-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid; acetic acid / water / 5 h / 155 °C

2: dimethyl sulfate; sodium tetrahydroborate / tetrahydrofuran / 3 h / 50 - 60 °C

With sodium tetrahydroborate; sulfuric acid; acetic acid; dimethyl sulfate; In tetrahydrofuran; water;

upstream raw materials:

2-fluoro-3-chlorobenzaldehyde

2,3-dichlorobenzonitrile

3-chloro-2-fluorobenzonitrile

3‐chloro‐2‐fluorobenzoic acid

Downstream raw materials:

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

2-(3-chloro-2-fluorophenyl)acetonitrile

2-(3-chloro-2-fluorophenyl)ethylamine

2-fluoro-3-chlorobenzaldehyde

Refernces

• 1、 -. "NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES". Page/Page column 123. . Retrieved 2013/06/27.