(3-(Bromomethyl)phenyl)methanol

Base Information

• Chemical Name: (3-(Bromomethyl)phenyl)methanol
• CAS No.: 82072-22-8
• Molecular Formula: C8H9 Br O
• Molecular Weight: 201.063
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID80597564
• Nikkaji Number: J1.553.075H
• Wikidata: Q82493160
• Mol file: 82072-22-8.mol

Synonyms:82072-22-8;(3-(BROMOMETHYL)PHENYL)METHANOL;3-(Bromomethyl)benzyl alcohol;[3-(bromomethyl)phenyl]methanol;3-Bromomethylbenzyl alcohol;3-Bromo methylbenzyl alcohol;MFCD08234488;Benzenemethanol, 3-(bromomethyl)-;3-Bromomethylbenzylalcohol;3-hydroxymethylbenzyl bromide;3-(Bromomethyl)benzylalcohol;(3-(bromomethyl)phenyl)metanol;SCHEMBL1023596;DTXSID80597564;JQZKOBFRLUVZLO-UHFFFAOYSA-N;AKOS015920316;AM84227;CS-W015576;GS-3982;SY110813;DB-056568;A864461

Chemical Property of (3-(Bromomethyl)phenyl)methanol

Chemical Property:

• Boiling Point: 286.0±20.0 °C(Predicted)
• PKA: 14.23±0.10(Predicted)
• PSA: 20.23000
• Density: 1.514±0.06 g/cm3(Predicted)
• LogP: 2.07380
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 199.98368
• Heavy Atom Count: 10
• Complexity: 95.3

Purity/Quality:

97% ^*data from raw suppliers

3-(Bromomethyl)benzenemethanol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)CBr)CO

Technology Process of (3-(Bromomethyl)phenyl)methanol

There total 6 articles about (3-(Bromomethyl)phenyl)methanol 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-methoxycarbonylbenzyl bromide (1129-28-8) → 3-hydroxymethylbenzyl bromide (82072-22-8)

Guidance literature:

With diisobutylaluminium hydride; In diethyl ether; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1021/om501231k

Reference yield: 70.0%

1,3-dimethanol benzene (626-18-6) → 3-hydroxymethylbenzyl bromide (82072-22-8)

Guidance literature:

With hydrogen bromide; In water; toluene; at 60 ℃; for 2h;

DOI:10.3390/molecules25153341

Reference yield: 56.0%

→ 3-hydroxymethylbenzyl bromide (82072-22-8)

Guidance literature:

upstream raw materials:

3-bromomethylbenzoic acid

1,3-bis-(bromomethyl)benzene

3-methoxycarbonylbenzyl bromide

1-methoxycarbonyl-3-methylbenzene

Downstream raw materials:

2-(3-(hydroxymethyl)phenyl)acetonitrile

(3-(2-aminoethyl)phenyl)methanol

[(p-methylphenyl)sulfonylmethyl]isonitrile

3-(bromomethyl)benzaldehyde