benzyl 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate

Base Information

Chemical Name:benzyl 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate
CAS No.:61538-85-0
Molecular Formula:C16H19NO2
Molecular Weight:257.332
Hs Code.:
DSSTox Substance ID:DTXSID10372285
Wikidata:Q82159907
ChEMBL ID:CHEMBL1401587

Synonyms:benzyl 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate;61538-85-0;Maybridge3_006085;MLS000861950;CHEMBL1401587;DTXSID10372285;HMS1448E13;HMS2803L21;CCG-247511;IDI1_017472;SMR000460734

Suppliers and Price of benzyl 3-ethyl-4,5-dimethyl-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 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate

Chemical Property:

XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:257.141578849
Heavy Atom Count:19
Complexity:299

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1=C(NC(=C1C)C)C(=O)OCC2=CC=CC=C2

Technology Process of benzyl 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate

There total 5 articles about benzyl 3-ethyl-4,5-dimethyl-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: 82.0%

: 34549-93-4
ethyl 3-ethyl-4,5-dimethylpyrrole-2-carboxylate

: 100-51-6,185532-71-2
benzyl alcohol

: 61538-85-0
benzyl 3-ethyl-4,5-dimethyl-pyrrole-2-carboxylate

Guidance literature:: With sodium phenyl-methanolate; Heating;
DOI:10.1016/j.tet.2007.09.059

Reference yield: 56.0%

: 128773-39-7
2-benzyloxycarbonyl-3-ethyl-5-methyl-pyrrole-4-carboxylic acid

: 61538-85-0
benzyl 3-ethyl-4,5-dimethyl-pyrrole-2-carboxylate

Guidance literature:: With sodium tetrahydroborate; boron trifluoride diethyl etherate; In tetrahydrofuran; Ambient temperature;
DOI:10.1016/S0040-4020(01)86682-5

Reference yield:

: 4949-45-5
benzyl 2-methylacetoacetate

: 61538-85-0
benzyl 3-ethyl-4,5-dimethyl-pyrrole-2-carboxylate

Guidance literature:: Multi-step reaction with 3 steps

1: 1. NaNO₂, CH₃CO₂H 2. Zn, NaOAc, CH₃CO₂H / 1.) 5 deg C, 18h 2.) 65 deg C, 1h

2: 95 percent / 33percent aq.HBr / acetic acid / 4 h / Ambient temperature

3: 56 percent / NaBH₄, BF₃*Et₂O / tetrahydrofuran / Ambient temperature

With sodium tetrahydroborate; boron trifluoride diethyl etherate; hydrogen bromide; sodium acetate; acetic acid; zinc; sodium nitrite; In tetrahydrofuran; acetic acid;
DOI:10.1016/S0040-4020(01)86682-5