Dimethyl 4-(bromomethyl)isophthalate

Base Information

• Chemical Name: Dimethyl 4-(bromomethyl)isophthalate
• CAS No.: 16281-94-0
• Molecular Formula: C11H11BrO4
• Molecular Weight: 287.11
• Hs Code.: 2917399090
• DSSTox Substance ID: DTXSID50565437
• Wikidata: Q82450536
• Mol file: 16281-94-0.mol

Synonyms:16281-94-0;DIMETHYL 4-(BROMOMETHYL)ISOPHTHALATE;4-BROMOMETHYL-ISOPHTHALIC ACID DIMETHYL ESTER;dimethyl 4-(bromomethyl)benzene-1,3-dicarboxylate;1,3-Benzenedicarboxylic acid, 4-(bromomethyl)-, 1,3-dimethyl ester;MFCD09878874;1,3-dimethyl 4-(bromomethyl)benzene-1,3-dicarboxylate;SCHEMBL2065651;DTXSID50565437;ANRZBUXUDASAAN-UHFFFAOYSA-N;AKOS024262043;AB54057;AS-48110;SY264651;DIMETHYL4-(BROMOMETHYL)ISOPHTHALATE;4-(bromomethyl)isophthalic acid dimethyl ester;F18367;4-(Bromomethyl)-1,3-benzenedicarboxylic acid 1,3-dimethyl ester

Chemical Property of Dimethyl 4-(bromomethyl)isophthalate

Chemical Property:

• PSA: 52.60000
• LogP: 2.15470
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 285.98407
• Heavy Atom Count: 16
• Complexity: 267

Purity/Quality:

97% ^*data from raw suppliers

4-Bromomethyl-isophthalicaciddimethylester 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Dimethyl 4-(bromomethyl)isophthalate

There total 6 articles about Dimethyl 4-(bromomethyl)isophthalate 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%

dimethyl 4-methylbenzene-1,3-dicarboxylate (23038-61-1) → dimethyl 4-bromomethylbenzene-1,3-dicarboxylate (16281-94-0)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; at 85 ℃; for 15h;

Reference yield: 72.0%

1,1'-azobis (cyclohexanecarbonitrile) (2094-98-6) + dimethyl 4-methylbenzene-1,3-dicarboxylate (23038-61-1) → dimethyl 4-bromomethylbenzene-1,3-dicarboxylate (16281-94-0)

Guidance literature:

With N-Bromosuccinimide; In tetrachloromethane;

Reference yield:

N-Bromosuccinimide (128-08-5) + dimethyl 4-methylbenzene-1,3-dicarboxylate (23038-61-1) → dimethyl 4-bromomethylbenzene-1,3-dicarboxylate (16281-94-0)

Guidance literature:

With dibenzoyl peroxide; In tetrachloromethane; chloroform;

upstream raw materials:

dimethyl 4-methylbenzene-1,3-dicarboxylate

1,1'-azobis (cyclohexanecarbonitrile)

3-bromo-4-methylbenzoic acid

4-methyl isophthalic acid

Downstream raw materials:

dimethyl 4-({[6-(5-phenyl-1H-pyrrol-2-yl)-2-naphthyl]oxy}methyl)isophthalate

dimethyl 4-{[(6-{5-phenyl-1-[4-(trifluoromethyl)benzyl]-1H-pyrrol-2-yl}-2-naphthyl)oxy]methyl}isophthalate

methyl 2-benzyl-3-oxoisoindoline-5-carboxylate