Methyl 4-bromo-3-(bromomethyl)benzoate

Base Information

• Chemical Name: Methyl 4-bromo-3-(bromomethyl)benzoate
• CAS No.: 142031-67-2
• Molecular Formula: C9H8Br2O2
• Molecular Weight: 307.969
• Hs Code.: 2916399090
• European Community (EC) Number: 813-169-8
• DSSTox Substance ID: DTXSID00466667
• Wikidata: Q82293273
• Mol file: 142031-67-2.mol

Synonyms:Methyl 4-bromo-3-(bromomethyl)benzoate;142031-67-2;4-BROMO-3-BROMOMETHYL-BENZOIC ACID METHYL ESTER;Benzoic acid, 4-bromo-3-(bromomethyl)-, methyl ester;MFCD11858300;SCHEMBL256770;DTXSID00466667;GRJDNFSKEWOMIM-UHFFFAOYSA-N;methyl 4-bromo-3-bromomethylbenzoate;AKOS024261250;Methyl4-bromo-3-(bromomethyl)benzoate;CS-W000693;DS-8645;SB33487;SY240405;FT-0752695;4-bromo-3-bromomethylbenzoic acid methyl ester;EN300-259999

Chemical Property of Methyl 4-bromo-3-(bromomethyl)benzoate

Chemical Property:

• Boiling Point: 356.9±32.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.780±0.06 g/cm3(Predicted)
• LogP: 3.13060
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 307.88706
• Heavy Atom Count: 13
• Complexity: 185

Purity/Quality:

97% ^*data from raw suppliers

Methyl4-bromo-3-(bromomethyl)benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=CC(=C(C=C1)Br)CBr

Technology Process of Methyl 4-bromo-3-(bromomethyl)benzoate

There total 7 articles about Methyl 4-bromo-3-(bromomethyl)benzoate 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: 85.0%

4-Bromo-3-methylbenzoic acid methyl ester (148547-19-7) → methyl 4-bromo-3-(bromomethyl)benzoate (142031-67-2)

Guidance literature:

4-Bromo-3-methylbenzoic acid methyl ester; With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In chloroform; for 40h; Reflux;

With N-ethyl-N,N-diisopropylamine; phosphonic acid diethyl ester; In tetrahydrofuran; at 0 - 20 ℃; for 16h;

Reference yield: 73.7%

azobisisobutyronitrile (34241-39-9) + 4-Bromo-3-methylbenzoic acid methyl ester (148547-19-7) → methyl 4-bromo-3-(bromomethyl)benzoate (142031-67-2)

Guidance literature:

With N-Bromosuccinimide; In tetrachloromethane;

Reference yield: 46.1%

→ methyl 4-bromo-3-(bromomethyl)benzoate (142031-67-2)

Guidance literature:

upstream raw materials:

4-Bromo-3-methylbenzoic acid methyl ester

azobisisobutyronitrile

1-methoxycarbonyl-3-methylbenzene

4-bromo-3-methylbenzoic acid

Downstream raw materials:

methyl 4-bromo-3-(hydroxymethyl)benzoate

4-bromo-3-ethoxymethyl-benzoic acid methyl ester

2-benzyl-6-(2-bromo-5-methoxybenzylamino)-benzo[de]isoquinoline-1,3-dione

methyl 4-bromo-3-(methoxymethyl)benzoate