5-Bromo-2-methoxyresorcinol

Base Information

• Chemical Name: 5-Bromo-2-methoxyresorcinol
• CAS No.: 133932-61-3
• Molecular Formula: C7H7BrO3
• Molecular Weight: 219.035
• DSSTox Substance ID: DTXSID40436465
• Wikidata: Q82251735
• Mol file: 133932-61-3.mol

Synonyms:5-BROMO-2-METHOXYRESORCINOL;133932-61-3;5-bromo-2-methoxybenzene-1,3-diol;5-bromo-2-methoxy-1,3-benzenediol;SCHEMBL9418420;DTXSID40436465;AKOS027447011;FT-0663766;J-006456

Chemical Property of 5-Bromo-2-methoxyresorcinol

Chemical Property:

• Melting Point: 124-126°C
• PSA: 49.69000
• LogP: 1.86890
• Storage Temp.: -20°C Freezer
• Solubility.: Dichloromethane, Ethanol, Ethyl Acetate, Methanol
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 217.95786
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

99% ^*data from raw suppliers

5-Bromo-2-methoxyresorcinol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1O)Br)O

Technology Process of 5-Bromo-2-methoxyresorcinol

There total 2 articles about 5-Bromo-2-methoxyresorcinol 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: 91.0%

OoC + (aqueous)NaHSO3 + Trimethyl borate (121-43-7,63156-11-6) + 2,4,6-tribromoanisole (607-99-8) → 5-bromo-2-methoxybenzene-1,3-diol (133932-61-3)

Guidance literature:

With peracetic acid; n-butyllithium; acetic acid; In tetrachloromethane; diethyl ether; water; pentane;

Reference yield: 89.0%

2,4,6-tribromoanisole (607-99-8) → 5-bromo-2-methoxybenzene-1,3-diol (133932-61-3)

Guidance literature:

2,4,6-tribromoanisole; With n-butyllithium; In pentane; at -20 - -10 ℃; for 0.25h;

With Trimethyl borate; In pentane; at -30 - 0 ℃; for 0.5h;

In acetic acid; at -10 - 0 ℃; for 0.5h; Further stages.;

DOI:10.1080/00304940709458594

Reference yield: 100.0%

5-bromo-2-methoxybenzene-1,3-diol (133932-61-3) → 2-methoxyresorcinol (29267-67-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate;

DOI:10.1021/jo00013a052

upstream raw materials:

2,4,6-tribromoanisole

Trimethyl borate

Downstream raw materials:

5-Bromo-2-methoxy-3-tetradecyloxy-phenol

2-methoxyresorcinol

2,4-dihydroxy-3-methoxybenzaldehyde

Phosphoric acid 5-bromo-2-methoxy-3-tetradecyloxy-phenyl ester 3-bromomethyl-phenyl ester