Benzyl 4-acetyl-5-methyl-1H-pyrrole-2-carboxylate

Base Information

Chemical Name:Benzyl 4-acetyl-5-methyl-1H-pyrrole-2-carboxylate
CAS No.:87462-14-4
Molecular Formula:C15H15NO3
Molecular Weight:257.289
Hs Code.:
DSSTox Substance ID:DTXSID90519095
Wikidata:Q82382044

Synonyms:Benzyl 4-acetyl-5-methyl-1H-pyrrole-2-carboxylate;87462-14-4;DTXSID90519095

Suppliers and Price of Benzyl 4-acetyl-5-methyl-1H-pyrrole-2-carboxylate

Supply Marketing:

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

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Chemical Property of Benzyl 4-acetyl-5-methyl-1H-pyrrole-2-carboxylate

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:257.10519334
Heavy Atom Count:19
Complexity:336

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Benzyl 4-acetyl-5-methyl-1H-pyrrole-2-carboxylate

There total 4 articles about Benzyl 4-acetyl-5-methyl-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: 90.0%

: 108-24-7
acetic anhydride

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

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

Guidance literature:: With boron trifluoride diethyl etherate; 1.) 0 deg C, 15 min, 2.) 25 deg C, 1 h, 3.) 40 deg C, 1.5 h;
DOI:10.1021/jo00374a031

Reference yield:

: 5396-89-4
benzyl acetoacetate

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

Guidance literature:: Multi-step reaction with 3 steps

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

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

3: 90 percent / boron trifluoride etherate / 1.) 0 deg C, 15 min, 2.) 25 deg C, 1 h, 3.) 40 deg C, 1.5 h

With boron trifluoride diethyl etherate; sodium acetate; acetic acid; zinc; sodium nitrite; In water;
DOI:10.1021/jo00374a031

Reference yield:

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

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

Guidance literature:: Multi-step reaction with 2 steps

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

2: 90 percent / boron trifluoride etherate / 1.) 0 deg C, 15 min, 2.) 25 deg C, 1 h, 3.) 40 deg C, 1.5 h

With boron trifluoride diethyl etherate; sodium acetate; acetic acid; zinc; In water;
DOI:10.1021/jo00374a031