1H-Pyrrole-2-carboxylic acid, 5-methyl-, phenylmethyl ester

Base Information

Chemical Name:1H-Pyrrole-2-carboxylic acid, 5-methyl-, phenylmethyl ester
CAS No.:87462-15-5
Molecular Formula:C13H13NO2
Molecular Weight:215.252
Hs Code.:
DSSTox Substance ID:DTXSID20465793
Nikkaji Number:J432.342D
Wikidata:Q82292022

Synonyms:1H-Pyrrole-2-carboxylic acid, 5-methyl-, phenylmethyl ester;DTXSID20465793

Suppliers and Price of 1H-Pyrrole-2-carboxylic acid, 5-methyl-, phenylmethyl ester

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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, 5-methyl-, phenylmethyl ester

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:215.094628657
Heavy Atom Count:16
Complexity:236

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(N1)C(=O)OCC2=CC=CC=C2

Technology Process of 1H-Pyrrole-2-carboxylic acid, 5-methyl-, phenylmethyl ester

There total 7 articles about 1H-Pyrrole-2-carboxylic acid, 5-methyl-, phenylmethyl 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: 55.0%

: 87462-14-4
benzyl 4-acetyl-5-methylpyrrole-2-carboxylate

: 87462-15-5
benzyl 5-methylpyrrole-2-carboxylate

Guidance literature:: With ethandithiol; boron trifluoride diethyl etherate; In acetic acid; Heating;
DOI:10.1021/jo00172a067

Reference yield:

: 5436-21-5
acetylacetaldehyde dimethyl acetal

: 27331-98-2
benzyl (Z/E)-2-hydroxyimino-3-oxobutanoate

: 87462-15-5
benzyl 5-methylpyrrole-2-carboxylate

Guidance literature:: With sodium acetate; acetic acid; zinc; In water; at 78 ℃; for 2h; Yield given;
DOI:10.1021/jo00374a031

Reference yield:

: 5396-89-4
benzyl acetoacetate

: 87462-15-5
benzyl 5-methylpyrrole-2-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: sodium nitrite, glacial acetic acid / H₂O / 1 h / 5 °C

2: zinc, sodium acetate, acetic acid / H₂O / 2 h / 78 °C

With sodium acetate; acetic acid; zinc; sodium nitrite; In water;
DOI:10.1021/jo00374a031