2-Ethyl-2-phenylpropanedinitrile

Base Information

• Chemical Name: 2-Ethyl-2-phenylpropanedinitrile
• CAS No.: 26739-88-8
• Molecular Formula: C₁₁H₁₀N₂
• Molecular Weight: 170.214
• DSSTox Substance ID: DTXSID201301508
• Mol file: 26739-88-8.mol

Synonyms:2-Ethyl-2-phenylpropanedinitrile;DTXSID201301508;26739-88-8

Chemical Property of 2-Ethyl-2-phenylpropanedinitrile

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 170.084398327
• Heavy Atom Count: 13
• Complexity: 240

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C#N)(C#N)C1=CC=CC=C1

Technology Process of 2-Ethyl-2-phenylpropanedinitrile

There total 12 articles about 2-Ethyl-2-phenylpropanedinitrile 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: 96.0%

2-ethylmalononitrile (3696-37-5) + Diphenyliodonium triflate (66003-76-7) → 2-ethyl-2-phenylmalononitrile (26739-88-8)

Guidance literature:

2-ethylmalononitrile; With potassium tert-butylate; In dichloromethane; at 0 ℃; for 0.0833333h; Schlenk technique; Inert atmosphere;

Diphenyliodonium triflate; In dichloromethane; at 0 - 20 ℃; for 1.08333h; Reagent/catalyst; Solvent; Schlenk technique; Inert atmosphere;

DOI:10.1055/s-0036-1589061

Reference yield: 88.0%

2-ethylmalononitrile (3696-37-5) + diphenyliodonium hexafluorophosphate (58109-40-3) → 2-ethyl-2-phenylmalononitrile (26739-88-8)

Guidance literature:

2-ethylmalononitrile; With potassium tert-butylate; In dichloromethane; at 0 ℃; for 0.0833333h; Schlenk technique; Inert atmosphere;

diphenyliodonium hexafluorophosphate; In dichloromethane; at 0 - 20 ℃; for 1.08333h; Schlenk technique; Inert atmosphere;

DOI:10.1055/s-0036-1589061

Reference yield: 85.0%

2-ethylmalononitrile (3696-37-5) + diphenyliodonium tetrafluoroborate → 2-ethyl-2-phenylmalononitrile (26739-88-8)

Guidance literature:

2-ethylmalononitrile; With potassium tert-butylate; In dichloromethane; at 0 ℃; for 0.0833333h; Schlenk technique; Inert atmosphere;

diphenyliodonium tetrafluoroborate; In dichloromethane; at 0 - 20 ℃; for 1.08333h; Schlenk technique; Inert atmosphere;

DOI:10.1055/s-0036-1589061

upstream raw materials:

Ketene

2-ethyl-2-phenylmalonamide

(rac)-2-Cyan-2-phenylbutanamid

2-phenylmalononitrile

Downstream raw materials:

2-(2,4-Diamino-1,3,5-triazin-6-yl)-2-phenylbarbituronitrile

2-aminomethyl-2-phenyl-butyronitrile