Methyl 3-methyl-5-phenyl-1H-pyrrole-2-carboxylate

Base Information

Chemical Name:Methyl 3-methyl-5-phenyl-1H-pyrrole-2-carboxylate
CAS No.:89649-58-1
Molecular Formula:C13H13NO2
Molecular Weight:215.24800
Hs Code.:
DSSTox Substance ID:DTXSID40520550
Nikkaji Number:J995.672G
Wikidata:Q82384522

Synonyms:Methyl 3-methyl-5-phenyl-1H-pyrrole-2-carboxylate;89649-58-1;DTXSID40520550;Methyl3-methyl-5-phenyl-1H-pyrrole-2-carboxylate

Suppliers and Price of Methyl 3-methyl-5-phenyl-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
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price

Total 3 raw suppliers

Chemical Property of Methyl 3-methyl-5-phenyl-1H-pyrrole-2-carboxylate

Chemical Property:

PSA：42.09000
LogP:2.77670
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:215.094628657
Heavy Atom Count:16
Complexity:248

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(NC(=C1)C2=CC=CC=C2)C(=O)OC

Technology Process of Methyl 3-methyl-5-phenyl-1H-pyrrole-2-carboxylate

There total 13 articles about Methyl 3-methyl-5-phenyl-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: 70.0%

: methyl 4-iodo-3-methyl-5-phenyl-1-(4-tolylsulfonyl)pyrrolidine-2-carboxylate

: 89649-58-1
methyl 3-methyl-5-phenylpyrrole-2-carboxylate

Guidance literature:: With 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl-formamide; at 90 ℃; for 1h;
DOI:10.1039/b106739g

Reference yield:

: 89649-30-9
4'-Methyl-2'-phenyl-2,3,4,5,2',3'-hexahydro-1'H-[1,2']bipyrrolyl-5'-carboxylic acid methyl ester

: 89649-58-1
methyl 3-methyl-5-phenylpyrrole-2-carboxylate

Guidance literature:: With acetic acid; In methanol; at 0 - 25 ℃; Yield given;

Reference yield:

: 36004-04-3
ethyl (E)-1-phenylbut-1-en-3-ol

: 89649-58-1
methyl 3-methyl-5-phenylpyrrole-2-carboxylate

Guidance literature:: Multi-step reaction with 6 steps

1: 81 percent / pyridine / CH₂Cl₂ / 3 h / 0 - 20 °C

2: 75 percent / 1,2-bis(diphenylphosphino)ethane / tetrakis(triphenylphosphine)palladium⁽⁰⁾ / tetrahydrofuran / 24 h / 20 °C

3: 41 percent / aq. HCl / diethyl ether / 1 h

4: 0.96 g / DMAP; Et₃N / CH₂Cl₂ / 20 °C

5: 74 percent / iodine / acetonitrile / 16 h / 0 - 20 °C

6: 70 percent / DBU / dimethylformamide / 1 h / 90 °C

With pyridine; hydrogenchloride; dmap; iodine; 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine; 1,2-bis-(diphenylphosphino)ethane; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; diethyl ether; dichloromethane; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1039/b106739g