4-Chloro-2-fluorobenzyl alcohol

Base Information

• Chemical Name: 4-Chloro-2-fluorobenzyl alcohol
• CAS No.: 56456-49-6
• Molecular Formula: C7H6 Cl F O
• Molecular Weight: 160.575
• Hs Code.: 2906299090
• European Community (EC) Number: 671-284-7
• DSSTox Substance ID: DTXSID20378591
• Wikidata: Q72450662
• Mol file: 56456-49-6.mol

Synonyms:4-Chloro-2-fluorobenzyl alcohol;56456-49-6;(4-chloro-2-fluorophenyl)methanol;4-Chloro-2-fluorobenzylalcohol;Benzenemethanol, 4-chloro-2-fluoro-;MFCD00143285;Benzenemethanol,4-chloro-2-fluoro-;(4-chloro-2-fluoro-phenyl)methanol;SCHEMBL134961;AMY6486;DTXSID20378591;XUZRWKWJKDCQNA-UHFFFAOYSA-N;BCP24599;(4-Chloro-2-fluoro-phenyl)-methanol;AKOS009159513;CS-W002423;AS-19456;SY032819;FT-0646336;A22500;EN300-1968529;J-514940

Chemical Property of 4-Chloro-2-fluorobenzyl alcohol

Chemical Property:

• Vapor Pressure: 0.0434mmHg at 25°C
• Boiling Point: 227.6°Cat760mmHg
• PKA: 13.68±0.10(Predicted)
• Flash Point: 91.4°C
• PSA: 20.23000
• Density: 1.344g/cm³
• LogP: 1.97140
• Storage Temp.: Sealed in dry,Room Temperature
• 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%,99%, ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• 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=C1Cl)F)CO

Technology Process of 4-Chloro-2-fluorobenzyl alcohol

There total 4 articles about 4-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: 82.0%

4-chloro-2-fluorobenzoic acid methyl ester (148893-72-5) → (4-chloro-2-fluorophenyl)methanol (56456-49-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 1h; Inert atmosphere;

Reference yield: 78.7%

4-chloro-2-fluorobenzaldehyde (61072-56-8) → (4-chloro-2-fluorophenyl)methanol (56456-49-6)

Guidance literature:

With methanol; sodium tetrahydroborate; at 0 - 20 ℃; for 1h;

Reference yield: 71.0%

4-chloro-2-fluorobenzoic acid (446-30-0) → (4-chloro-2-fluorophenyl)methanol (56456-49-6)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 2h; Heating;

DOI:10.1002/hlca.19850680535

upstream raw materials:

4-chloro-2-fluorobenzoic acid

4-chloro-2-fluorobenzaldehyde

4-chloro-2-fluorotoluene

4-chloro-2-fluorobenzoic acid methyl ester

Downstream raw materials:

1-(bromomethyl)-4-chloro-2-fluorobenzene

N-(4-chloro-2-fluoro-benzyl)phthalimide

(4-chloro-2-fluorobenzyloxy)(tert-butyl)dimethylsilane

1-(5-(4-Chloro-2-fluorobenzyloxy)pyridin-2-yl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)propan-2-ol

Refernces

• 1、 -. "BICYCLIC AZAHETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS". Paragraph 0238. . Retrieved 2016/07/05.
• 2、 -. "TRICYCLIC PIPERIDINE COMPOUNDS". Page/Page column 111. . Retrieved 2015/06/08.