3-Chloro-2,6-difluorobenzyl alcohol

Base Information

• Chemical Name: 3-Chloro-2,6-difluorobenzyl alcohol
• CAS No.: 252004-35-6
• Molecular Formula: C₇H₅ClF₂O
• Molecular Weight: 178.566
• Hs Code.: 2906299090
• European Community (EC) Number: 670-780-0
• DSSTox Substance ID: DTXSID00373908
• Wikidata: Q82162301
• Mol file: 252004-35-6.mol

Synonyms:252004-35-6;(3-chloro-2,6-difluorophenyl)methanol;3-Chloro-2,6-difluorobenzyl alcohol;benzenemethanol, 3-chloro-2,6-difluoro-;3-Chloro-2,6-difluorobenzyl alcohol Link;SCHEMBL616685;DTXSID00373908;KLHRZAAZABAKME-UHFFFAOYSA-N;MFCD01631325;AKOS006228381;AT13644;JS-4159;3-CHLORO-2,6-DIFLUOROBENZYLALCOHOL;CS-0128425;FT-0692100;EN300-1983904

Chemical Property of 3-Chloro-2,6-difluorobenzyl alcohol

Chemical Property:

• Vapor Pressure: 0.0422mmHg at 25°C
• Refractive Index: 1.52
• Boiling Point: 228.1 °C at 760 mmHg
• Flash Point: 91.7 °C
• PSA: 20.23000
• Density: 1.444 g/cm³
• LogP: 2.11050
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 177.9996988
• Heavy Atom Count: 11
• Complexity: 134

Purity/Quality:

99% ^*data from raw suppliers

3-Chloro-2,6-difluorobenzylalcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Chloro-2,6-difluorobenzyl alcohol

There total 2 articles about 3-Chloro-2,6-difluorobenzyl 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%

2,6-difluoro-3-chlorobenzoic acid (225104-76-7) → (3-chloro-2,6-difluoro-phenyl)-methanol (252004-35-6)

Guidance literature:

With dimethylsulfide borane complex; In tetrahydrofuran; at 20 ℃; for 12h;

Reference yield:

1-chloro-2,4-difluorobenzene (1435-44-5) → (3-chloro-2,6-difluoro-phenyl)-methanol (252004-35-6)

Guidance literature:

Reference yield: 77.0%

(3-chloro-2,6-difluoro-phenyl)-methanol (252004-35-6) → 3-chloro-2,6-difluorobenzyl bromide (261762-47-4)

Guidance literature:

With carbon tetrabromide; triphenylphosphine; In dichloromethane; at 20 ℃; for 2h;

upstream raw materials:

1-chloro-2,4-difluorobenzene

2,6-difluoro-3-chlorobenzoic acid

Downstream raw materials:

3-(3-chloro-2,6-difluorophenyl)-7-((5-(2-(diethylamino)ethoxy)pyridin-2-yl)amino)-1-ethyl-1,6-naphthyridin-2(1H)-one

ethyl 2-(3-chloro-2,6-difluorophenyl)acetate

7-chloro-3-(3-chloro-2,6-difluorophenyl)-1-ethyl-1,6-naphthyridin-2(1H)-one

3-chloro-2,6-difluorobenzyl bromide

Refernces

• 1、 -. "Isothiazole derivatives useful as anticancer agents". . . Retrieved 2008/06/13.