1H-Pyrrole-2-carboxylic acid, 4-acetyl-5-methyl-3-phenyl-, methyl ester

Base Information

Chemical Name:1H-Pyrrole-2-carboxylic acid, 4-acetyl-5-methyl-3-phenyl-, methyl ester
CAS No.:89649-54-7
Molecular Formula:C15H15NO3
Molecular Weight:257.289
Hs Code.:
DSSTox Substance ID:DTXSID60415979
Nikkaji Number:J3.100.066A
Wikidata:Q82225079

Synonyms:1H-Pyrrole-2-carboxylic acid, 4-acetyl-5-methyl-3-phenyl-, methyl ester;89649-54-7;DTXSID60415979;4-Acetyl-5-methyl-3-phenyl-1H-pyrrole-2-carboxylic acid methyl ester;InChI=1/C15H15NO3/c1-9-12(10(2)17)13(11-7-5-4-6-8-11)14(16-9)15(18)19-3/h4-8,16H,1-3H

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

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Chemical Property of 1H-Pyrrole-2-carboxylic acid, 4-acetyl-5-methyl-3-phenyl-, methyl ester

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:257.10519334
Heavy Atom Count:19
Complexity:349

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C(=C(N1)C(=O)OC)C2=CC=CC=C2)C(=O)C

Technology Process of 1H-Pyrrole-2-carboxylic acid, 4-acetyl-5-methyl-3-phenyl-, methyl ester

There total 6 articles about 1H-Pyrrole-2-carboxylic acid, 4-acetyl-5-methyl-3-phenyl-, methyl ester 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: 82.0%

: 18803-02-6
5-methoxy-3-phenylisoxazole

: 123-54-6,81235-32-7
acetylacetone

: 89649-54-7
methyl 4-acetyl-5-methyl-3-phenyl-1H-pyrrole-2-carboxylate

Guidance literature:: With nickel(II) chloride hexahydrate; iron(II) chloride tetrahydrate; In acetonitrile; at 20 ℃; for 24h; Reagent/catalyst;
DOI:10.1039/c5ra01889g

Reference yield: 57.0%

: 1118-66-7
4-amino-3-penten-2-one

: 18709-45-0
methyl 3-phenyl-2H-azirine-2-carboxylate

: 89649-54-7
methyl 4-acetyl-5-methyl-3-phenyl-1H-pyrrole-2-carboxylate

Guidance literature:: With iron(III) chloride; In acetonitrile; at 80 ℃; for 1.5h; Inert atmosphere;
DOI:10.1016/j.tet.2012.06.069

Reference yield: 56.0%

: 18803-02-6
5-methoxy-3-phenylisoxazole

: 123-54-6,81235-32-7
acetylacetone

: C₁₃H₁₃NO₂

: 89649-54-7
methyl 4-acetyl-5-methyl-3-phenyl-1H-pyrrole-2-carboxylate

Guidance literature:: With nickel(II) chloride hexahydrate; iron(II) chloride tetrahydrate; In acetonitrile; at 65 ℃; for 24h;
DOI:10.1039/c5ra01889g