4-Cyano-1-(2-phenylethyl)-1H-pyrrole-2-carbonyl chloride

Base Information

Chemical Name:4-Cyano-1-(2-phenylethyl)-1H-pyrrole-2-carbonyl chloride
CAS No.:66491-02-9
Molecular Formula:C14H11ClN2O
Molecular Weight:258.707
Hs Code.:
DSSTox Substance ID:DTXSID40522438
Wikidata:Q82387697

Synonyms:66491-02-9;4-Cyano-1-(2-phenylethyl)-1H-pyrrole-2-carbonyl chloride;DTXSID40522438

Suppliers and Price of 4-Cyano-1-(2-phenylethyl)-1H-pyrrole-2-carbonyl chloride

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
Packaging
price

Total 1 raw suppliers

Chemical Property of 4-Cyano-1-(2-phenylethyl)-1H-pyrrole-2-carbonyl chloride

Chemical Property:

XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:258.0559907
Heavy Atom Count:18
Complexity:343

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CCN2C=C(C=C2C(=O)Cl)C#N

Technology Process of 4-Cyano-1-(2-phenylethyl)-1H-pyrrole-2-carbonyl chloride

There total 3 articles about 4-Cyano-1-(2-phenylethyl)-1H-pyrrole-2-carbonyl chloride 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: 92.0%

: 66491-01-8
4-Cyano-1-(2-phenethyl)pyrrole-2-carboxylic Acid

: 66491-02-9
4-Cyano-1-(2-phenethyl)pyrrole-2-carboxylic acid chloride

Guidance literature:: With thionyl chloride; for 0.5h; Heating;
DOI:10.1021/jo00167a015

Reference yield:

: 66491-00-7
Methyl 4-cyano-1-(2-phenethyl)pyrrole-2-carboxylate

: 66491-02-9
4-Cyano-1-(2-phenethyl)pyrrole-2-carboxylic acid chloride

Guidance literature:: Multi-step reaction with 2 steps

1: 6 N NaOH / ethanol / 2 h / Heating

2: 92 percent / SOCl₂ / 0.5 h / Heating

With sodium hydroxide; thionyl chloride; In ethanol;
DOI:10.1021/jo00167a015

Reference yield:

: 103-63-9
1-phenyl-2-bromoethane

: 66491-02-9
4-Cyano-1-(2-phenethyl)pyrrole-2-carboxylic acid chloride

Guidance literature:: Multi-step reaction with 3 steps

1: 77 percent / K₂CO₃ / dimethylformamide / 4 h / 85 °C

2: 6 N NaOH / ethanol / 2 h / Heating

3: 92 percent / SOCl₂ / 0.5 h / Heating

With sodium hydroxide; thionyl chloride; potassium carbonate; In ethanol; N,N-dimethyl-formamide;
DOI:10.1021/jo00167a015