(Z)-3-(1-methylpyrrol-2-yl)-2-phenylprop-2-enenitrile

Base Information

• Chemical Name: (Z)-3-(1-methylpyrrol-2-yl)-2-phenylprop-2-enenitrile
• CAS No.: 86771-02-0
• Molecular Formula: C₁₄H₁₂N₂
• Molecular Weight: 208.263
• DSSTox Substance ID: DTXSID601325073
• ChEMBL ID: CHEMBL1322510
• Mol file: 86771-02-0.mol

Synonyms:MLS000706396;(Z)-3-(1-methylpyrrol-2-yl)-2-phenylprop-2-enenitrile;CHEMBL1322510;DTXSID601325073;HMS2733I08;STL354022;AKOS000601299;86771-02-0;SMR000288448;(2Z)-3-(1-methyl-1H-pyrrol-2-yl)-2-phenylprop-2-enenitrile

Chemical Property of (Z)-3-(1-methylpyrrol-2-yl)-2-phenylprop-2-enenitrile

Chemical Property:

• PSA: 28.72000
• LogP: 3.08928
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 208.100048391
• Heavy Atom Count: 16
• Complexity: 304

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=CC=C1C=C(C#N)C2=CC=CC=C2
• Isomeric SMILES: CN1C=CC=C1/C=C(\C#N)/C2=CC=CC=C2

Technology Process of (Z)-3-(1-methylpyrrol-2-yl)-2-phenylprop-2-enenitrile

There total 1 articles about (Z)-3-(1-methylpyrrol-2-yl)-2-phenylprop-2-enenitrile 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:

N-methylpyrrole aldehyde (1192-58-1) + phenylacetonitrile (140-29-4) → (Z)-α-(phenyl)-β-(N-methyl-2-pyrrolyl)acrylonitrile (86771-02-0)

Guidance literature:

With ethanol; N-benzyl-trimethylammonium hydroxide;

DOI:10.1021/jo01099a018

upstream raw materials:

N-methylpyrrole aldehyde

phenylacetonitrile