2-(4-Methylphenyl)-1,3-diphenyl-2-cyclopropene-1-carbonitrile

Base Information

• Chemical Name: 2-(4-Methylphenyl)-1,3-diphenyl-2-cyclopropene-1-carbonitrile
• CAS No.: 142438-06-0
• Molecular Formula: C₂₃H₁₇N
• Molecular Weight: 307.395
• DSSTox Substance ID: DTXSID701181127
• Mol file: 142438-06-0.mol

Synonyms:DTXSID701181127;2-(4-Methylphenyl)-1,3-diphenyl-2-cyclopropene-1-carbonitrile;142438-06-0

Chemical Property of 2-(4-Methylphenyl)-1,3-diphenyl-2-cyclopropene-1-carbonitrile

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 307.136099547
• Heavy Atom Count: 24
• Complexity: 530

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=C(C2(C#N)C3=CC=CC=C3)C4=CC=CC=C4

Technology Process of 2-(4-Methylphenyl)-1,3-diphenyl-2-cyclopropene-1-carbonitrile

There total 2 articles about 2-(4-Methylphenyl)-1,3-diphenyl-2-cyclopropene-1-carbonitrile 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:

2-phenylglycinonitrile hydrochloride (53641-60-4,53941-45-0) → 3-cyano-2,3-diphenyl-1-tolylcyclopropene (142438-06-0)

Guidance literature:

Multi-step reaction with 2 steps

1: NaNO₂, aq. HCl / diethyl ether / 0.08 h / 0 °C

2: diethyl ether / Heating

With hydrogenchloride; sodium nitrite; In diethyl ether;

Reference yield:

4-(phenylethynyl)toluene (3287-02-3) + 2-diazo-2-phenylacetonitrile (61766-63-0) → 3-cyano-2,3-diphenyl-1-tolylcyclopropene (142438-06-0)

Guidance literature:

In diethyl ether; Yield given; Heating;

Reference yield:

methyllithium (917-54-4) + 3-cyano-2,3-diphenyl-1-tolylcyclopropene (142438-06-0) → 3-acetyl-2,3-diphenyl-1-tolylcyclopropene (137570-32-2)

Guidance literature:

With ammonium chloride; Yield given. Multistep reaction; 1.) ether, 0 deg C, 3 h, 2.) chloroform, RT, 16 h;

upstream raw materials:

4-(phenylethynyl)toluene

2-diazo-2-phenylacetonitrile

2-phenylglycinonitrile hydrochloride

Downstream raw materials:

3-acetyl-2,3-diphenyl-1-tolylcyclopropene