Cyclopropanecarbonitrile, 1-methyl-2,2-diphenyl-

Base Information

• Chemical Name: Cyclopropanecarbonitrile, 1-methyl-2,2-diphenyl-
• CAS No.: 56701-20-3
• Molecular Formula: C₁₇H₁₅N
• Molecular Weight: 233.313
• NSC Number: 120429
• DSSTox Substance ID: DTXSID70298058
• Nikkaji Number: J113.811A
• Mol file: 56701-20-3.mol

Synonyms:56701-20-3;Cyclopropanecarbonitrile, 1-methyl-2,2-diphenyl-;NSC120429;DTXSID70298058;Cyclopropanecarbonitrile,2-diphenyl-;NSC-120429

Chemical Property of Cyclopropanecarbonitrile, 1-methyl-2,2-diphenyl-

Chemical Property:

• Vapor Pressure: 8.5E-06mmHg at 25°C
• Boiling Point: 374.2°Cat760mmHg
• Flash Point: 141°C
• PSA: 23.79000
• Density: 1.12g/cm³
• LogP: 3.90628
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 233.120449483
• Heavy Atom Count: 18
• Complexity: 333

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Cyclopropanecarbonitrile, 1-methyl-2,2-diphenyl-

There total 10 articles about Cyclopropanecarbonitrile, 1-methyl-2,2-diphenyl- 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: 53.0%

benzophenone hydrazone (5350-57-2) + methacrylonitrile (126-98-7,25067-61-2) → 1-methyl-2,2-diphenyl-cyclopropylcarbonitrile (56701-20-3,72101-45-2)

Guidance literature:

With sodium methylate; In methanol; at 55 ℃; C-anode, Pt-cathode, costant current: 0.5 A, 3.1 F/mol, undivided cell;

DOI:10.1021/jo00166a006

Reference yield: 34.0%

benzophenone tosylhydrazone (4545-20-4) + methacrylonitrile (126-98-7,25067-61-2) → 1-methyl-2,2-diphenyl-cyclopropylcarbonitrile (56701-20-3,72101-45-2) + benzophenone azine (983-79-9)

Guidance literature:

benzophenone tosylhydrazone; With sodium hydroxide; In 1,4-dioxane; at 80 - 90 ℃; for 1h;

methacrylonitrile; at 80 - 90 ℃; for 0.25h;

DOI:10.1016/S0040-4020(01)00133-8

Reference yield:

(S)-(+)-1-bromo-2,2-diphenyl-cyclopropanecarbonitrile (935853-53-5) + methyl iodide (74-88-4) → 1-cyano-2,2-diphenylcyclopropane (28098-84-2,51154-93-9,151436-92-9,30932-41-3) + 1-methyl-2,2-diphenyl-cyclopropylcarbonitrile (56701-20-3,72101-45-2)

Guidance literature:

With n-butyllithium; In diethyl ether; at -100 ℃; for 1h;

DOI:10.1021/ol070149g

upstream raw materials:

(+/-)-1-methyl-2,2-diphenyl-cyclopropanecarboxylic acid amide

1-cyano-2,2-diphenylcyclopropane

benzophenone hydrazone

methacrylonitrile