3-Bromo-5-(hydroxymethyl)benzene-1,2-diol

Base Information

• Chemical Name: 3-Bromo-5-(hydroxymethyl)benzene-1,2-diol
• CAS No.: 52897-61-7
• Molecular Formula: C7H7BrO3
• Molecular Weight: 219.035
• Hs Code.: 2908199090
• ChEMBL ID: CHEMBL451595
• DSSTox Substance ID: DTXSID40551884
• Metabolomics Workbench ID: 134989
• Nikkaji Number: J608.216E
• Wikidata: Q82431773
• Mol file: 52897-61-7.mol

Synonyms:52897-61-7;3-Bromo-5-(hydroxymethyl)benzene-1,2-diol;3-BROMO-4,5-DIHYDROXYBENZYL ALCOHOL;CHEMBL451595;DTXSID40551884

Chemical Property of 3-Bromo-5-(hydroxymethyl)benzene-1,2-diol

Chemical Property:

• PSA: 60.69000
• LogP: 1.35260
• XLogP3: 1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 217.95786
• Heavy Atom Count: 11
• Complexity: 131

Purity/Quality:

99% ^*data from raw suppliers

3-BROMO-4,5-DIHYDROXYBENZYL ALCOHOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1O)O)Br)CO

Technology Process of 3-Bromo-5-(hydroxymethyl)benzene-1,2-diol

There total 4 articles about 3-Bromo-5-(hydroxymethyl)benzene-1,2-diol 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: 88.0%

3-bromo-4,5-dihydroxybenzaldehyde (16414-34-9) → 3-bromo-4,5-dihydroxybenzyl alcohol (52897-61-7)

Guidance literature:

With sodium tetrahydroborate; In methanol;

Reference yield:

5-bromo-4-hydroxy-3-methoxybenzaldehyde (2973-76-4) → 3-bromo-4,5-dihydroxybenzyl alcohol (52897-61-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / 48percent aq. HBr, glacial acetic acid / 3 h / Heating

2: 88 percent / NaBH₄ / methanol

With sodium tetrahydroborate; hydrogen bromide; acetic acid; In methanol;

Reference yield:

3,4-dihydroxybenzaldehyde (139-85-5) → 3-bromo-4,5-dihydroxybenzyl alcohol (52897-61-7)

Guidance literature:

Multi-step reaction with 2 steps

1: Br₂; AcOH / 0.5 h / 20 °C

2: KBH₄

With potassium borohydride; bromine; acetic acid;

DOI:10.1021/np0305268

upstream raw materials:

3-bromo-4,5-dihydroxybenzaldehyde

3,4-dihydroxybenzaldehyde

5-bromo-4-hydroxy-3-methoxybenzaldehyde