1-(2-Chloro-2-phenylethyl)-4-cyano-1H-pyrrole-2-carbonyl chloride

Base Information

Chemical Name:1-(2-Chloro-2-phenylethyl)-4-cyano-1H-pyrrole-2-carbonyl chloride
CAS No.:62541-80-4
Molecular Formula:C₁₄H₁₀Cl₂N₂O
Molecular Weight:293.152
Hs Code.:
DSSTox Substance ID:DTXSID90522665

Synonyms:62541-80-4;SCHEMBL11654258;DTXSID90522665;1-(2-Chloro-2-phenylethyl)-4-cyano-1H-pyrrole-2-carbonyl chloride

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

Supply Marketing:

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

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

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:292.0170183
Heavy Atom Count:19
Complexity:373

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(CN2C=C(C=C2C(=O)Cl)C#N)Cl

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

There total 4 articles about 1-(2-Chloro-2-phenylethyl)-4-cyano-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: 75.0%

: 86289-17-0
Sodium N-(2-Hydroxyphenethyl)-4-cyanopyrrole-2-carboxylate

: 62541-80-4
4-cyano-N-(2-chloro-2-phenylethyl)-pyrrole-2-carbonyl chloride

Guidance literature:: With phosphorus pentachloride; trichlorophosphate; for 18h; Heating;
DOI:10.1021/jo00167a016

Reference yield:

: 86289-16-9
Sodium N-Phenacyl-4-cyanopyrrole-2-carboxylate

: 62541-80-4
4-cyano-N-(2-chloro-2-phenylethyl)-pyrrole-2-carbonyl chloride

Guidance literature:: Multi-step reaction with 2 steps

1: NaBH₄ / H₂O; ethanol / 0.25 h / Ambient temperature

2: 75 percent / POCl₃, PCl₅ / 18 h / Heating

With sodium tetrahydroborate; phosphorus pentachloride; trichlorophosphate; In ethanol; water;
DOI:10.1021/jo00167a016

Reference yield:

: 62541-79-1
Methyl N-Phenacyl-4-cyano-pyrrole-2-carboxylate

: 62541-80-4
4-cyano-N-(2-chloro-2-phenylethyl)-pyrrole-2-carbonyl chloride

Guidance literature:: Multi-step reaction with 3 steps

1: 87 percent / NaOH / ethanol / 0.5 h / Heating

2: NaBH₄ / H₂O; ethanol / 0.25 h / Ambient temperature

3: 75 percent / POCl₃, PCl₅ / 18 h / Heating

With sodium hydroxide; sodium tetrahydroborate; phosphorus pentachloride; trichlorophosphate; In ethanol; water;
DOI:10.1021/jo00167a016