Benzene, 1-bromo-2,3-dimethoxy-5-methyl-

Base Information

• Chemical Name: Benzene, 1-bromo-2,3-dimethoxy-5-methyl-
• CAS No.: 68278-85-3
• Molecular Formula: C9H11BrO2
• Molecular Weight: 231.089
• DSSTox Substance ID: DTXSID50467280
• Nikkaji Number: J1.859.034D
• Wikidata: Q82294110
• Mol file: 68278-85-3.mol

Synonyms:68278-85-3;Benzene, 1-bromo-2,3-dimethoxy-5-methyl-;1-bromo-2,3-dimethoxy-5-methylbenzene;SCHEMBL9880773;DTXSID50467280;1-bromo-2,3-dimethoxy-5-methylben-zene

Chemical Property of Benzene, 1-bromo-2,3-dimethoxy-5-methyl-

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 229.99424
• Heavy Atom Count: 12
• Complexity: 141

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)Br)OC)OC

Technology Process of Benzene, 1-bromo-2,3-dimethoxy-5-methyl-

There total 11 articles about Benzene, 1-bromo-2,3-dimethoxy-5-methyl- 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%

2-bromo-6-methoxy-4-methylphenol (71119-08-9) + methyl iodide (74-88-4) → 3-bromo-4,5-dimethoxy-toluene (68278-85-3)

Guidance literature:

With potassium carbonate; In acetone; at 80 ℃;

DOI:10.1016/j.tetlet.2020.152588

Reference yield: 80.0%

5-bromoveratralaldehyde (6948-30-7) → 3-bromo-4,5-dimethoxy-toluene (68278-85-3)

Guidance literature:

With sodium cyanoborohydride; zinc(II) iodide; In 1,2-dichloro-ethane; for 20h; Heating;

DOI:10.1021/ol047316m

Reference yield:

1,3-dibromo-2-methoxy-5-methylbenzene (51699-89-9) + sodium methylate (124-41-4) → 3-bromo-4,5-dimethoxy-toluene (68278-85-3) + 3,4,5-trimethoxytoluene (6443-69-2) + 1,2-dimethoxy-4-methylbenzene (494-99-5)

Guidance literature:

With copper(l) chloride; In methanol; N,N-dimethyl-formamide; at 140 ℃; for 8h; Temperature; Time; Autoclave;

DOI:10.1021/op0502248

upstream raw materials:

5-bromoveratralaldehyde

2-bromo-6-methoxy-4-methylphenol

dimethyl sulfate

5-bromo-4-hydroxy-3-methoxybenzaldehyde

Downstream raw materials:

(2,3-dimethoxy-5-methyl-phenyl)-(2-methoxy-4-methyl-phenyl)-ether

5'-Formyl-2,2',3-trimethoxy-5-methyldiphenylether

2-bromo-3,4-dimethoxy-6-methylbenzaldehyde

3-(2',3'-dimethoxy-5'-methylphenyl)-2-methylcyclopent-2-enone