(3-Bromo-4-methylphenyl)methanol

Base Information

• Chemical Name: (3-Bromo-4-methylphenyl)methanol
• CAS No.: 68120-35-4
• Molecular Formula: C8H9BrO
• Molecular Weight: 201.063
• Hs Code.: 2906299090
• European Community (EC) Number: 804-275-5
• DSSTox Substance ID: DTXSID20513647
• Wikidata: Q82373562
• Mol file: 68120-35-4.mol

Synonyms:(3-BROMO-4-METHYLPHENYL)METHANOL;68120-35-4;3-bromo-4-methylbenzyl alcohol;MFCD12031922;SCHEMBL1467659;DTXSID20513647;ZRBDUKUJADUIEO-UHFFFAOYSA-N;AMY14398;(3-Bromo-4-methyl-phenyl)-methanol;AKOS016008171;3-Bromo-4-methylbenzyl alcohol, 97%;FS-5165;SY030171;CS-0031361;EN300-156755;F50128;A867125;Z1269190523

Chemical Property of (3-Bromo-4-methylphenyl)methanol

Chemical Property:

• Melting Point: 38-42°C
• Boiling Point: 283.4±25.0 °C(Predicted)
• PKA: 14.29±0.10(Predicted)
• Flash Point: >110℃
• 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-4-methylphenyl)methanol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)CO)Br

Technology Process of (3-Bromo-4-methylphenyl)methanol

There total 3 articles about (3-Bromo-4-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-4-methylbenzoic acid (7697-26-9) → (3-bromo-4-methyl-phenyl)-methanol (68120-35-4)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 0 - 20 ℃; for 18h; Inert atmosphere;

DOI:10.1021/jm4008517

Reference yield: 49.6%

3-bromo-4-methyl-benzaldehyde (36276-24-1) → (3-bromo-4-methyl-phenyl)-methanol (68120-35-4)

Guidance literature:

With methanol; sodium tetrahydroborate; at 0 - 20 ℃; for 2h;

Reference yield:

4-methyl-benzaldehyde (104-87-0) → (3-bromo-4-methyl-phenyl)-methanol (68120-35-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: aluminum (III) chloride / dichloromethane / 0.5 h / 0 - 40 °C

1.2: 0 - 20 °C

2.1: methanol; sodium tetrahydroborate / 2 h / 0 - 20 °C

With methanol; aluminum (III) chloride; sodium tetrahydroborate; In dichloromethane;

upstream raw materials:

3-bromo-4-methylbenzoic acid

3-bromo-4-methyl-benzaldehyde

4-methyl-benzaldehyde

Downstream raw materials:

5-(hydroxymethyl)-2-methylbenzoic acid

1,3-bis(3-bromo-4-methylphenyl)urea

3-bromo-4-methyl-benzamide

(E)-ethyl 3-(3-(1,2,3,4-tetrahydro-1,1,4,4,6-pentamethylnaphthalen-7-yl)-4-methylphenyl)acrylate