[5-Bromo-3-(hydroxymethyl)-2-methoxyphenyl]methanol

Base Information

• Chemical Name: [5-Bromo-3-(hydroxymethyl)-2-methoxyphenyl]methanol
• CAS No.: 89479-09-4
• Molecular Formula: C9H11BrO3
• Molecular Weight: 247.089
• DSSTox Substance ID: DTXSID20555289
• Nikkaji Number: J2.330.564J
• Wikidata: Q82436599
• Mol file: 89479-09-4.mol

Synonyms:89479-09-4;[5-bromo-3-(hydroxymethyl)-2-methoxyphenyl]methanol;(5-Bromo-2-methoxy-1,3-phenylene)dimethanol;SCHEMBL10600312;DTXSID20555289;AKOS034179153;4-Bromo-2,6-bis(hydroxymethyl)anisole;AS-0236;4-bromo-2,6-bis(hydroxymethyl) anisole;AB00991518-01

Chemical Property of [5-Bromo-3-(hydroxymethyl)-2-methoxyphenyl]methanol

Chemical Property:

• Melting Point: 126-128 °C
• Boiling Point: 380.0±37.0 °C(Predicted)
• PSA: 49.69000
• Density: 1.571±0.06 g/cm3(Predicted)
• LogP: 1.44230
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 245.98916
• Heavy Atom Count: 13
• Complexity: 140

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1CO)Br)CO

Technology Process of [5-Bromo-3-(hydroxymethyl)-2-methoxyphenyl]methanol

There total 4 articles about [5-Bromo-3-(hydroxymethyl)-2-methoxyphenyl]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: 90.0%

C15H27BrO3Si2 (1256770-03-2) → [5-bromo-3-(hydroxymethyl)-2-methoxyphenyl]methanol (89479-09-4)

Guidance literature:

With water; boric acid; at 20 ℃; for 1.5h;

DOI:10.1590/S0103-50532010000800026

Reference yield: 58.0%

4-bromo-2,6-bis(hydroxymethyl)phenol (6296-63-5) + dimethyl sulfate (77-78-1) → [5-bromo-3-(hydroxymethyl)-2-methoxyphenyl]methanol (89479-09-4)

Guidance literature:

With sodium hydroxide; at 20 - 30 ℃;

DOI:10.1021/jo0103266

Reference yield:

4-bromo-phenol (106-41-2) → [5-bromo-3-(hydroxymethyl)-2-methoxyphenyl]methanol (89479-09-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 47 percent / aq. NaOH / methanol / 288 h / 20 °C

2: 58 percent / aq. NaOH / 20 - 30 °C

With sodium hydroxide; In methanol;

DOI:10.1021/jo0103266

upstream raw materials:

4-bromo-2,6-bis(hydroxymethyl)phenol

dimethyl sulfate

4-bromo-phenol

C₁₅H₂₇BrO₃Si₂

Downstream raw materials:

4-bromo-2,6-di(hydroxymethyl)anisole diacacetate

5-bromo-1,3-bis(bromomethyl)-2-methoxybenzene

5-Bromo-2-methoxy-1,3-bis-methoxymethyl-benzene

2,6-bis[2-(o-aminophenoxy)methyl]-4-bromo-1-methoxybenzene