Methyl 3-bromo-5-iodo-4-methylbenzoate

Base Information

Chemical Name:Methyl 3-bromo-5-iodo-4-methylbenzoate
CAS No.:905712-38-1
Molecular Formula:C9H8 Br I O2
Molecular Weight:354.97
Hs Code.:
DSSTox Substance ID:DTXSID10700963
Wikidata:Q82632494
Mol file:905712-38-1.mol

Synonyms:METHYL 3-BROMO-5-IODO-4-METHYLBENZOATE;905712-38-1;SCHEMBL22400330;DTXSID10700963;AKOS020050452

Suppliers and Price of Methyl 3-bromo-5-iodo-4-methylbenzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of Methyl 3-bromo-5-iodo-4-methylbenzoate

Chemical Property:

PSA：26.30000
LogP:3.14870
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:353.87524
Heavy Atom Count:13
Complexity:198

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C=C(C=C1I)C(=O)OC)Br

Technology Process of Methyl 3-bromo-5-iodo-4-methylbenzoate

There total 3 articles about Methyl 3-bromo-5-iodo-4-methylbenzoate 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: 87.0%

: 67-56-1
methanol

: 1229245-20-8
3-bromo-5-iodo-4-methylbenzoic acid

: 905712-38-1
methyl 3-bromo-5-iodo-4-methyl-benzoate

Guidance literature:: With sulfuric acid; Reflux;

Reference yield: 72.0%

: 104901-43-1
methyl 3-bromo-4-methylbenzoate

: 905712-38-1
methyl 3-bromo-5-iodo-4-methyl-benzoate

Guidance literature:: With N-iodo-succinimide; sulfuric acid; for 2.5h;
DOI:10.1021/jo0607212

Reference yield:

: 7697-26-9
3-bromo-4-methylbenzoic acid

: 905712-38-1
methyl 3-bromo-5-iodo-4-methyl-benzoate

Guidance literature:: Multi-step reaction with 2 steps

1: sulfuric acid; N-iodo-succinimide / 16 h / 20 °C

2: sulfuric acid / Reflux

With N-iodo-succinimide; sulfuric acid;