Methyl 3,4,5-tribromo-1h-pyrrole-2-carboxylate

Base Information

Chemical Name:Methyl 3,4,5-tribromo-1h-pyrrole-2-carboxylate
CAS No.:1198-67-0
Molecular Formula:C6H4 Br3 N O2
Molecular Weight:361.81
Hs Code.:2933990090
DSSTox Substance ID:DTXSID80522432
Nikkaji Number:J2.552.837I
Wikidata:Q82387684
Mol file:1198-67-0.mol

Synonyms:methyl 3,4,5-tribromo-1h-pyrrole-2-carboxylate;1198-67-0;1H-Pyrrole-2-carboxylic acid, 3,4,5-tribromo-, methyl ester;DTXSID80522432;JKARVVJCKXGAHO-UHFFFAOYSA-N

Suppliers and Price of Methyl 3,4,5-tribromo-1h-pyrrole-2-carboxylate

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 6 raw suppliers

Chemical Property of Methyl 3,4,5-tribromo-1h-pyrrole-2-carboxylate

Chemical Property:

PSA：42.09000
LogP:3.08880
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:360.77717
Heavy Atom Count:12
Complexity:190

Purity/Quality:: 98%,99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=C(C(=C(N1)Br)Br)Br

Technology Process of Methyl 3,4,5-tribromo-1h-pyrrole-2-carboxylate

There total 6 articles about Methyl 3,4,5-tribromo-1h-pyrrole-2-carboxylate 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: 66.0%

: 1193-62-0
methyl Pyrrole-2-carboxylate

: 1198-67-0
methyl 3,4,5-tribromo-1H-pyrrole-2-carboxylate

Guidance literature:: With N-Bromosuccinimide; In acetonitrile; at 0 - 20 ℃; for 1.5h;
DOI:10.1021/jacs.1c02371

Reference yield:

: 1193-62-0
methyl Pyrrole-2-carboxylate

: 1198-67-0
methyl 3,4,5-tribromo-1H-pyrrole-2-carboxylate

: 934-05-4
methyl 4-bromo-1H-pyrrole-2-carboxylate

: 937-16-6
4,5-dibromopyrrole-2-carboxylic acid methyl ester

Guidance literature:: With bromine; In water; tert-butyl alcohol; at 25 ℃; regioselective reaction;
DOI:10.1016/j.tet.2011.04.010

Reference yield:

: 35302-72-8
pyrrol-2-yl trichloromethyl ketone

: 1198-67-0
methyl 3,4,5-tribromo-1H-pyrrole-2-carboxylate

: 934-05-4
methyl 4-bromo-1H-pyrrole-2-carboxylate

: 937-16-6
4,5-dibromopyrrole-2-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: methanol / 0.67 h / 23 °C / Inert atmosphere

2: bromine / water; tert-butyl alcohol / 25 °C

With methanol; bromine; In water; tert-butyl alcohol;
DOI:10.1016/j.tet.2011.04.010