(4-Bromo-3-methylphenyl)methanol

Base Information

• Chemical Name: (4-Bromo-3-methylphenyl)methanol
• CAS No.: 149104-89-2
• Molecular Formula: C8H9BrO
• Molecular Weight: 201.063
• Hs Code.: 2906299090
• European Community (EC) Number: 864-027-7
• DSSTox Substance ID: DTXSID40450863
• Wikidata: Q72447654
• Mol file: 149104-89-2.mol

Synonyms:(4-BROMO-3-METHYLPHENYL)METHANOL;149104-89-2;4-Bromo-3-methylbenzyl alcohol;4-Bromo-5-methylbenzylalcohol;BENZENEMETHANOL, 4-BROMO-3-METHYL-;MFCD09264005;(4-bromo-3-methyl-phenyl)methanol;4-bromo-3-methylbenzylalcohol;SCHEMBL307493;4-bromo-3-methylbenzyl alcoho;2-bromo-5-hydroxymethyltoluene;2-bromo-5-hydroxylmethyltoluene;4-Bromo-3-methylbenzenemethanol;DTXSID40450863;HBSHHYYUASJVCG-UHFFFAOYSA-N;BCP21759;AKOS015151334;AB50387;AMY202100028;DS-18143;SY025541;B5285;CS-0042936;FT-0764799;(4-Bromo-3-methylphenyl)methanol, AldrichCPR;EN300-177419;A884307;J-501368;Z1269142250;Benzenemethanol, 4-bromo-3-methyl-

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

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Melting Point: 31-32℃
• Refractive Index: 1.581
• Boiling Point: 282.701 °C at 760 mmHg
• PKA: 14.16±0.10(Predicted)
• Flash Point: 124.774 °C
• PSA: 20.23000
• Density: 1.482 g/cm³
• LogP: 2.24980
• Storage Temp.: 2-8°C
• 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

4-Bromo-3-methylbenzyl Alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 5 articles about (4-Bromo-3-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%

4-bromo-3-methylbenzoic acid (7697-28-1) → 4-bromo-3-methylbenzylalcohol (149104-89-2)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1021/jm901870q

Reference yield: 100.0%

4-Bromo-3-methylbenzoic acid methyl ester (148547-19-7) → 4-bromo-3-methylbenzylalcohol (149104-89-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 3h; Cooling with ice;

Reference yield: 100.0%

3-methyl-4-bromobenzaldehyde (78775-11-8) → 4-bromo-3-methylbenzylalcohol (149104-89-2)

Guidance literature:

With sodium tetrahydroborate; ethanol; In tetrahydrofuran; at 20 ℃; for 4h; Inert atmosphere;

upstream raw materials:

4-bromo-3-methylbenzoic acid

4-Bromo-3-methylbenzoic acid methyl ester

ethyl 3-methyl-4-bromobenzoate

3-methyl-4-bromobenzaldehyde

Downstream raw materials:

2-((4-bromo-3-methylbenzyl)oxy)tetrahydro-2H-pyran

4-bromo-3-methylbenzyl trichloroacetimidate

2-(4-bromo-3-methyl-phenyl)acetonitrile

Refernces

• 1、 -. "ION CHANNEL MODULATORS". Paragraph 0430-0431. . Retrieved 2021/06/11.
• 2、 -. "SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH". Paragraph 0272; 0273. . Retrieved 2019/11/05.