2-Bromo-1,3,5-trimethoxybenzene

Base Information

• Chemical Name: 2-Bromo-1,3,5-trimethoxybenzene
• CAS No.: 1131-40-4
• Molecular Formula: C9H11BrO3
• Molecular Weight: 247.089
• Hs Code.: 29093090
• European Community (EC) Number: 214-464-9
• NSC Number: 151970
• DSSTox Substance ID: DTXSID4061547
• Nikkaji Number: J203.375E
• Wikidata: Q81989532
• Mol file: 1131-40-4.mol

Synonyms:2-Bromo-1,3,5-trimethoxybenzene;1131-40-4;1-Bromo-2,4,6-trimethoxybenzene;2,4,6-Trimethoxybromobenzene;Benzene, 2-bromo-1,3,5-trimethoxy-;Bromophloroglucinol trimethyl ether;1-Bromo-2,4,6-trimethoxy-benzene;EINECS 214-464-9;MFCD00040757;NSC 151970;2-Bromo-1,3,5-trimethoxy-benzene;Benzene,2-bromo-1,3,5-trimethoxy-;NSC151970;O(C)c1cc(OC)cc(OC)c1Br;2-Bromo-1,5-trimethoxybenzene;SCHEMBL1203850;2,4,6-Trimethoxyphenyl bromide;DTXSID4061547;2-bromo-1,3,5-trimethoxy benzene;STK006466;AKOS000194061;DS-3006;FS-1193;NSC-151970;AC-20573;CS-0059229;FT-0633385;EN300-152541;A802733

Chemical Property of 2-Bromo-1,3,5-trimethoxybenzene

Chemical Property:

• Vapor Pressure: 0.00167mmHg at 25°C
• Melting Point: 97-99 °C
• Refractive Index: 1.519
• Boiling Point: 303.5 °C at 760 mmHg
• Flash Point: 122 °C
• PSA: 27.69000
• Density: 1.391 g/cm³
• LogP: 2.47490
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 245.98916
• Heavy Atom Count: 13
• Complexity: 140

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-1,3,5-trimethoxybenzene 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22
• Safety Statements: 22-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C(=C1)OC)Br)OC

Technology Process of 2-Bromo-1,3,5-trimethoxybenzene

There total 19 articles about 2-Bromo-1,3,5-trimethoxybenzene 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%

1,2,3-trimethoxybenzene (621-23-8) → 2-bromo-1,3,5-trimethoxybenzene (1131-40-4)

Guidance literature:

With N-Bromosuccinimide; In tetrachloromethane; for 3h; Heating;

DOI:10.1021/jo0606655

Reference yield: 100.0%

→ 2-bromo-1,3,5-trimethoxybenzene (1131-40-4)

Guidance literature:

Reference yield: 97.0%

2,4,6-trimethoxybenzoic acid (570-02-5) → 2-bromo-1,3,5-trimethoxybenzene (1131-40-4)

Guidance literature:

With silver carbonate; copper(ll) bromide; palladium dichloride; In tetrahydrofuran; at 110 ℃; for 24h;

DOI:10.1016/j.tetlet.2013.03.135

upstream raw materials:

1,2,3-trimethoxybenzene

5-bromo-2,4,6-trimethoxy-isophthalic acid

dimethyl sulfate

bromine

Downstream raw materials:

1,3,5-trimethoxy-2-phenoxy-benzene

2-bromo-3,5-dimethoxycyclohexane-2,5-diene-1,4-dione

1,3,5-Trimethoxy-2-<(1R,2R,3S,4R,5R)-2,3,4,5,6-pentabenzyloxy-1-hydroxyhexyl>benzol

1,3,5-Trimethoxy-2-<(1S,2R,3S,4R,5R)-2,3,4,5,6-pentabenzyloxy-1-hydroxyhexyl>benzol