3-(Bromomethyl)phenol

Base Information

• Chemical Name: 3-(Bromomethyl)phenol
• CAS No.: 74597-04-9
• Molecular Formula: C7H7BrO
• Molecular Weight: 187.036
• Hs Code.: 2908199090
• European Community (EC) Number: 849-475-3
• DSSTox Substance ID: DTXSID20548111
• Nikkaji Number: J2.450.557J
• Wikidata: Q72447584
• Mol file: 74597-04-9.mol

Synonyms:3-(BROMOMETHYL)PHENOL;74597-04-9;3-bromomethylphenol;MFCD08234655;Phenol, 3-(bromomethyl)-;m-bromomethylphenol;3-Bromomethyphenol;3-bromomethyl-phenol;3-[(Bromo)methyl]phenol;SCHEMBL434200;3-HYDROXYBENZYL BROMIDE;DTXSID20548111;AMY22500;ZCA59704;(R)-1-Boc-2-piperidinecarboxaldehyde;AKOS005166848;CS-W005909;MB05606;DS-17685;SY037819;EN300-1692756;A865856;J-510827

Chemical Property of 3-(Bromomethyl)phenol

Chemical Property:

• Vapor Pressure: 0.004mmHg at 25°C
• Refractive Index: 1.612
• Boiling Point: 272.055 °C at 760 mmHg
• Flash Point: 118.335 °C
• PSA: 20.23000
• Density: 1.594 g/cm³
• LogP: 2.28710
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 185.96803
• Heavy Atom Count: 9
• Complexity: 85

Purity/Quality:

97% ^*data from raw suppliers

3-?(Bromomethyl)?phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)O)CBr
• Uses: 3-?(Bromomethyl)?phenol is a reagent used in synthesis of furan-based heterocycles. Also used in the preparation of tetrahydroisoquinolinyl triazole carboxamide and triazole substituted benzamide analogues as σ2 receptors.

Technology Process of 3-(Bromomethyl)phenol

There total 6 articles about 3-(Bromomethyl)phenol 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: 100.0%

1-bromomethyl-3-methoxybenzene (874-98-6) → m-hydroxybenzyl bromide (74597-04-9)

Guidance literature:

With boron tribromide; In dichloromethane; at -78 - 0 ℃; for 2.5h; Inert atmosphere;

DOI:10.1021/jm5001453

Reference yield: 96.0%

3-Hydroxybenzyl alcohol (620-24-6) → m-hydroxybenzyl bromide (74597-04-9)

Guidance literature:

With phosphorus tribromide; In chloroform; for 2h; Ambient temperature;

Reference yield:

4-methyl-benzaldehyde (104-87-0) → m-hydroxybenzyl bromide (74597-04-9) + 4-Methylbenzyl bromide (104-81-4)

Guidance literature:

With chloro-trimethyl-silane; 1,1,3,3-Tetramethyldisiloxane; lithium bromide; In acetonitrile; at 80 ℃; for 0.333333h;

upstream raw materials:

3-Hydroxybenzyl alcohol

4-methyl-benzaldehyde

meta-hydroxybenzaldehyde

1-bromomethyl-3-methoxybenzene

Downstream raw materials:

m-hydroxytoluene-α-thiol

3-(bromomethyl)phenyl phosphodichlorodate

Diaethyl-m-hydroxybenzylmalonat

(3-hydroxybenzyl)di-tert-butylphosphine