5-Bromo-2-chlorobenzyl alcohol

Base Information

• Chemical Name: 5-Bromo-2-chlorobenzyl alcohol
• CAS No.: 149965-40-2
• Molecular Formula: C7H6BrClO
• Molecular Weight: 221.481
• Hs Code.: 2906299090
• European Community (EC) Number: 963-715-5
• DSSTox Substance ID: DTXSID30408070
• Wikidata: Q72452500
• Mol file: 149965-40-2.mol

Synonyms:5-Bromo-2-chlorobenzyl alcohol;149965-40-2;(5-bromo-2-chlorophenyl)methanol;BENZENEMETHANOL, 5-BROMO-2-CHLORO-;5-Bromo-2-chlorobenzylalcohol;(5-Bromo-2-chloro-phenyl)-methanol;MFCD02683548;5-BROMO-2-CHLOROBENZYL ALCOHOL 97;(5-bromo-2-chloro-phenyl)methanol;SCHEMBL154181;AMY6510;DTXSID30408070;SCHBQPIVMBDOQF-UHFFFAOYSA-N;(5-bromo-2-chlorophenyl) methanol;RKL10121;AKOS009157291;5-Bromo-2-chlorobenzyl alcohol, 97%;AC-4155;CS-W008496;MB02484;1-bromo-4-chloro-3-hydroxymethyl-benzene;4-bromo-1-chloro-2-hydroxymethyl-benzene;SY025163;TS-03173;B3946;FT-0659415;A22664;EN300-384352;J-008647;Z415730034

Chemical Property of 5-Bromo-2-chlorobenzyl alcohol

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.000675mmHg at 25°C
• Melting Point: 92-96 °C(lit.)
• Refractive Index: 1.605
• Boiling Point: 295.8 °C at 760 mmHg
• PKA: 13.69±0.10(Predicted)
• Flash Point: 132.7 °C
• PSA: 20.23000
• Density: 1.685 g/cm³
• LogP: 2.59480
• Storage Temp.: Room temperature.
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 219.92906
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Bromo-2-chlorobenzyl alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)CO)Cl

Technology Process of 5-Bromo-2-chlorobenzyl alcohol

There total 8 articles about 5-Bromo-2-chlorobenzyl 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: 99.0%

2-chloro-5-bromobenzaldehyde (189628-37-3) → 5-bromo-2-chlorobenzyl alcohol (149965-40-2)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 20 ℃; for 4h; Large scale;

Reference yield: 98.0%

5-bromo-2-chlorobenzoic acid (21739-92-4) → 5-bromo-2-chlorobenzyl alcohol (149965-40-2)

Guidance literature:

With dimethylsulfide; borane; In tetrahydrofuran; at 20 ℃; for 24h;

DOI:10.1021/jo0523619

Reference yield: 97.0%

3‐bromo‐5‐chlorobenzoic acid (42860-02-6) → 5-bromo-2-chlorobenzyl alcohol (149965-40-2)

Guidance literature:

3‐bromo‐5‐chlorobenzoic acid; With dimethylsulfide borane complex; In tetrahydrofuran; at 0 - 20 ℃; for 0.916667h; Heating / reflux;

With hydrogenchloride; In tetrahydrofuran; water; at 0 - 20 ℃; for 0.75h;

upstream raw materials:

5-bromo-2-chlorobenzoic acid

methyl 5-bromo-2-chloro-benzoate

5-Bromo-2-chloro-benzoic acid ethyl ester

3‐bromo‐5‐chlorobenzoic acid

Downstream raw materials:

4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene

(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)-2-methoxy-tetrahydropyran-3,4,5-triol

dapagliflozin

N-(4-chloro-3-formyl-benzyl)-3,3,3-trifluoro-propionamide

Refernces

• 1、 ?tv?s, Sándor B.,Kappe, C. Oliver. "Continuous-Flow Amide and Ester Reductions Using Neat Borane Dimethylsulfide Complex". . p. 1800 - 1807. Retrieved 2020/02/27.
• 2、 -. "BISARYL AMIDES AS NRF2 REGULATORS". Page/Page column 272-273. . Retrieved 2018/09/11.