Dimethyl 1-benzoyl-2-phenyl-1H-pyrrole-3,4-dicarboxylate

Base Information

Chemical Name:Dimethyl 1-benzoyl-2-phenyl-1H-pyrrole-3,4-dicarboxylate
CAS No.:118620-38-5
Molecular Formula:C21H17NO5
Molecular Weight:363.37
Hs Code.:
DSSTox Substance ID:DTXSID90556006
Wikidata:Q82437469
Mol file:118620-38-5.mol

Synonyms:118620-38-5;Dimethyl 1-benzoyl-2-phenyl-1H-pyrrole-3,4-dicarboxylate;DTXSID90556006

Suppliers and Price of Dimethyl 1-benzoyl-2-phenyl-1H-pyrrole-3,4-dicarboxylate

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 1 raw suppliers

Chemical Property of Dimethyl 1-benzoyl-2-phenyl-1H-pyrrole-3,4-dicarboxylate

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:363.11067264
Heavy Atom Count:27
Complexity:551

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CN(C(=C1C(=O)OC)C2=CC=CC=C2)C(=O)C3=CC=CC=C3

Technology Process of Dimethyl 1-benzoyl-2-phenyl-1H-pyrrole-3,4-dicarboxylate

There total 5 articles about Dimethyl 1-benzoyl-2-phenyl-1H-pyrrole-3,4-dicarboxylate 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: 51.0%

: ethyl 2-diazo-4-dibenzoylamino-3-oxo-butyrate

: 762-42-5
dimethyl acetylenedicarboxylate

: 118620-38-5
dimethyl N-benzoyl-2-phenylpyrrole-3,4-dicarboxylate

: 144630-42-2
2-benzoyl-5-carboethoxy-6,7-dicarbomethoxy-8-oxa-4-oxo-1-phenyl-2-azabicyclo<3.2.1>oct-6-ene

Guidance literature:: tetrakis(trifluoroacetato)rhodium(II); In benzene; at 25 ℃; for 0.416667h;
DOI:10.1016/S0040-4020(01)90369-2

Reference yield:

: 144630-39-7
N,N-dibenzoylglycyl chloride

: 118620-38-5
dimethyl N-benzoyl-2-phenylpyrrole-3,4-dicarboxylate

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) isopropyl magnesium chloride / 1.) THF, 2.) a) 0 deg C, b) 0-25 deg C, overnight

2: 72 percent / mesyl azide, Et₃N / acetonitrile / 2 h / 25 °C

3: 31 percent / Rh(II) trifluoroacetate / benzene / 0.42 h / 25 °C

With isopropylmagnesium chloride; triethylamine; Methanesulfonyl azide; tetrakis(trifluoroacetato)rhodium(II); In acetonitrile; benzene;
DOI:10.1016/S0040-4020(01)90369-2

Reference yield:

: 144630-40-0
ethyl 4-dibenzoylamino-3-oxo-butyrate

: 118620-38-5
dimethyl N-benzoyl-2-phenylpyrrole-3,4-dicarboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 72 percent / mesyl azide, Et₃N / acetonitrile / 2 h / 25 °C

2: 31 percent / Rh(II) trifluoroacetate / benzene / 0.42 h / 25 °C

With triethylamine; Methanesulfonyl azide; tetrakis(trifluoroacetato)rhodium(II); In acetonitrile; benzene;
DOI:10.1016/S0040-4020(01)90369-2