(5-Bromo-2-methylphenyl)methanol

Base Information

• Chemical Name: (5-Bromo-2-methylphenyl)methanol
• CAS No.: 258886-04-3
• Molecular Formula: C8H9BrO
• Molecular Weight: 201.063
• Hs Code.: 2906299090
• European Community (EC) Number: 892-663-5
• DSSTox Substance ID: DTXSID10514547
• Wikidata: Q82374935
• Mol file: 258886-04-3.mol

Synonyms:258886-04-3;(5-BROMO-2-METHYLPHENYL)METHANOL;5-bromo-2-methylbenzyl alcohol;BENZENEMETHANOL, 5-BROMO-2-METHYL-;MFCD12031921;5-bromo-2-methylbenzylalcohol;5-bromo-2-methylbenzenemethanol;(5-Bromo-2-methyl-phenyl)-methanol;SCHEMBL606473;DTXSID10514547;CXASFBKJNJSOAI-UHFFFAOYSA-N;AMY39689;AKOS014642054;AB87965;CS-W000524;SY153594;TS-02855;B5037;FT-0734162;EN300-133496;F15583;A903110;Z1259109160

Chemical Property of (5-Bromo-2-methylphenyl)methanol

Chemical Property:

• Melting Point: 60 °C
• Boiling Point: 289.6±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:

99% ^*data from raw suppliers

5-Bromo-2-methylbenzyl Alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (5-Bromo-2-methylphenyl)methanol

There total 6 articles about (5-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%

5-bromo-2-methylbenzoic acid (79669-49-1) → (5-bromo-2-methylphenyl)methanol (258886-04-3)

Guidance literature:

With dimethylsulfide borane complex; In tetrahydrofuran; at 0 - 20 ℃; for 25.5h;

Reference yield: 94.0%

methyl 2-methyl-5-bromobenzoate (79669-50-4) → (5-bromo-2-methylphenyl)methanol (258886-04-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 1h; Reagent/catalyst;

Reference yield:

5-bromo-2-methylbenzaldehyde (90050-59-2) → (5-bromo-2-methylphenyl)methanol (258886-04-3)

Guidance literature:

In tetrahydrofuran; sodium hydroxide; water; acetic acid;

upstream raw materials:

5-bromo-2-methylbenzoic acid

5-bromo-2-methylbenzaldehyde

methyl 2-methyl-5-bromobenzoate

2-Methyl-benzoic acid methyl ester

Refernces

• 1、 -. "SGLTS INHIBITOR AND APPLICATION THEREOF". Paragraph 0117-0120. . Retrieved 2020/11/30.
• 2、 -. "A is by aromatic carboxylic acid non-catalytic reaction of alcohol compound (by machine translation)". Paragraph 0028. . Retrieved 2019/04/17.