2,4,6-Tribromo-3-methoxyphenol

Base Information

• Chemical Name: 2,4,6-Tribromo-3-methoxyphenol
• CAS No.: 24967-79-1
• Molecular Formula: C7H5Br3O2
• Molecular Weight: 360.827
• Hs Code.: 2909500000
• DSSTox Substance ID: DTXSID50393499
• Nikkaji Number: J1.834.889F
• Mol file: 24967-79-1.mol

Synonyms:2,4,6-tribromo-3-methoxyphenol;24967-79-1;Phenol, 2,4,6-tribromo-3-methoxy-;SCHEMBL728842;DTXSID50393499;AKOS024399249;FT-0754724

Chemical Property of 2,4,6-Tribromo-3-methoxyphenol

Chemical Property:

• Melting Point: 104-105 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• Boiling Point: 301.8±37.0 °C(Predicted)
• PKA: 5.97±0.28(Predicted)
• PSA: 29.46000
• Density: 2.249±0.06 g/cm3(Predicted)
• LogP: 3.68830
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 359.78192
• Heavy Atom Count: 12
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C(=C1Br)O)Br)Br

Technology Process of 2,4,6-Tribromo-3-methoxyphenol

There total 7 articles about 2,4,6-Tribromo-3-methoxyphenol 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: 97.0%

O-methylresorcine (150-19-6) → 3-methoxy-2,4,6-tribromophenol (24967-79-1)

Guidance literature:

With benzyltrimethylammonium tribromide; calcium carbonate; In methanol; dichloromethane;

DOI:10.1246/bcsj.62.3373

Reference yield: 94.0%

3-methoxycyclohex-2-en-1-one (16807-60-6) → 3-methoxy-2,4,6-tribromophenol (24967-79-1)

Guidance literature:

3-methoxycyclohex-2-en-1-one; With N,N,N,N,N,N-hexamethylphosphoric triamide; lithium hexamethyldisilazane; In tetrahydrofuran; at 0 ℃; for 1h; Inert atmosphere;

With 1,4-diazabicyclo[2.2.2]octane*2Br₂; In tetrahydrofuran; at -78 ℃; for 0.5h; Inert atmosphere;

With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 - 20 ℃; for 0.333333h; Inert atmosphere;

DOI:10.1016/j.tet.2016.02.006

Reference yield:

2-Hydroxy-4-methoxybenzaldehyde (673-22-3) → 3-methoxy-2,4,6-tribromophenol (24967-79-1) + 3,5-dibromo-2-hydroxy-4-methoxy benzaldehyde (117238-61-6)

Guidance literature:

With pyridinium hydrobromide perbromide; In pyridine; at 50 ℃; for 2h;

DOI:10.1016/S0040-4039(02)02387-0

upstream raw materials:

O-methylresorcine

4,6-dibromo-3-methoxyphenol

diethyl ether

bromine

Downstream raw materials:

4,6-dibromo-3-methoxyphenol

2,3,5-tribromo-6-methoxy[1,4]benzoquinone

2,4-dibromo-3-methoxy-6-nitro-phenol

4,6-dibromo-1,3-dimethoxybenzene