(3-Bromo-2-methylphenyl)methanol

Base Information

• Chemical Name: (3-Bromo-2-methylphenyl)methanol
• CAS No.: 83647-43-2
• Molecular Formula: C8H9BrO
• Molecular Weight: 201.063
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID30434495
• Wikidata: Q82248931
• Mol file: 83647-43-2.mol

Synonyms:(3-BROMO-2-METHYLPHENYL)METHANOL;83647-43-2;3-bromo-2-methylbenzyl alcohol;3-Bromo-2-methyl-benzenemethanol;Benzenemethanol, 3-bromo-2-methyl-;3-bromo-2-methylBenzenemethanol;(3-Bromo-2-methyl-phenyl)-methanol;MFCD11847531;SCHEMBL147988;2-Methyl-3-bromo-phenylmethanol;DTXSID30434495;XYDXDWXAAQXHLK-UHFFFAOYSA-N;(3-bromo-2-methylphenyl) methanol;AMY25979;AKOS014882525;CS-W000403;SB38933;(3-Bromo-2-methylphenyl)methanol, 98%;AS-19890;SY030258;EN300-120528;A850429;Z1263881346;(3-bromo-2-methylphenyl)methanol;3-Bromo-2-methylbenzenemethanol

Chemical Property of (3-Bromo-2-methylphenyl)methanol

Chemical Property:

• Melting Point: 103-104 °C(Solv: benzene (71-43-2))
• Boiling Point: 286.4±25.0 °C(Predicted)
• PKA: 14.29±0.10(Predicted)
• PSA: 20.23000
• Density: 1.481±0.06 g/cm3(Predicted)
• LogP: 2.24980
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 199.98368
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

97% ^*data from raw suppliers

(3-Bromo-2-methylphenyl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=C1Br)CO

Technology Process of (3-Bromo-2-methylphenyl)methanol

There total 9 articles about (3-Bromo-2-methylphenyl)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: 100.0%

3-bromo-2-methylbenzaldehyde (83647-40-9) → 3-bromo-2-methylbenzyl alcohol (83647-43-2)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; at 20 ℃; for 2h;

DOI:10.1021/acsmedchemlett.0c00505

Reference yield: 99.0%

3-bromo-2-methylbenzoic acid (76006-33-2) → 3-bromo-2-methylbenzyl alcohol (83647-43-2)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 0 - 20 ℃; for 15h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.7b00293

Reference yield: 98.9%

methyl 3-bromo-2-methylbenzoate (99548-54-6) → 3-bromo-2-methylbenzyl alcohol (83647-43-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 0.5h; Inert atmosphere;

upstream raw materials:

2-methylphenyl aldehyde

3-bromo-2-methyl-benzoic acid ethyl ester

3'-bromo-2'-methylbenzonitrile

3-bromo-2-methylbenzoic acid

Downstream raw materials:

2-((3',4'-dimethoxyphenyl)methoxy)methyl-6-bromotoluene

1-bromo-3-(bromomethyl)-2-methylbenzene

2-(hydroxymethyl)-6-(1'-methyl-1'-(5''-imidazolyl)methyl)toluene

methyl 2-methyl-3-(1'-methyl-1'-(5''-imidazolyl)methyl)benzoate