2-Pentenenitrile, 2-(1,1-dimethylethoxy)-5-phenyl-3-(2-phenylethyl)-

Base Information

• Chemical Name: 2-Pentenenitrile, 2-(1,1-dimethylethoxy)-5-phenyl-3-(2-phenylethyl)-
• CAS No.: 59463-43-3
• Molecular Formula: C23H27NO
• Molecular Weight: 333.473
• DSSTox Substance ID: DTXSID70484530
• Mol file: 59463-43-3.mol

Synonyms:59463-43-3;2-Pentenenitrile, 2-(1,1-dimethylethoxy)-5-phenyl-3-(2-phenylethyl)-;DTXSID70484530

Chemical Property of 2-Pentenenitrile, 2-(1,1-dimethylethoxy)-5-phenyl-3-(2-phenylethyl)-

Chemical Property:

• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 333.209264485
• Heavy Atom Count: 25
• Complexity: 440

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=C(CCC1=CC=CC=C1)CCC2=CC=CC=C2)C#N

Technology Process of 2-Pentenenitrile, 2-(1,1-dimethylethoxy)-5-phenyl-3-(2-phenylethyl)-

There total 2 articles about 2-Pentenenitrile, 2-(1,1-dimethylethoxy)-5-phenyl-3-(2-phenylethyl)- 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-(tert-butoxy)acetonitrile (59463-51-3) → 2-tert-Butoxy-3-phenethyl-5-phenyl-pent-2-enenitrile (59463-43-3)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) NBS, (irradiation), (ii) /BRN= 956578/

2: (i) NaH, THF, (ii) /BRN= 2052819/

DOI:10.1021/jo00879a011

Reference yield:

1,5-diphenyl-3-pentanone (5396-91-8) + Diaethyl-tert-Butoxy(cyano)-methylphosphonat (59463-49-9) → 2-tert-Butoxy-3-phenethyl-5-phenyl-pent-2-enenitrile (59463-43-3)

Guidance literature:

Multistep reaction; (i) NaH, THF, (ii) /BRN= 2052819/;

DOI:10.1021/jo00879a011

Reference yield:

2-tert-Butoxy-3-phenethyl-5-phenyl-pent-2-enenitrile (59463-43-3) → 2-(2-phenylethyl)-4-phenylbutanoic acid (17486-91-8)

Guidance literature:

Multi-step reaction with 2 steps

1: ZnCl₂

2: aq. KOH / methanol

With potassium hydroxide; zinc(II) chloride; In methanol;

DOI:10.1021/ja00443a033

upstream raw materials:

1,5-diphenyl-3-pentanone

Diaethyl-tert-Butoxy(cyano)-methylphosphonat

2-(tert-butoxy)acetonitrile

Downstream raw materials:

Acetic acid 1-cyano-2-phenethyl-4-phenyl-but-1-enyl ester

Acetic acid 1-acetylaminocarbonyl-2-phenethyl-4-phenyl-but-1-enyl ester

2-phenethyl-4-phenyl-butyric acid amide

2-(2-phenylethyl)-4-phenylbutanoic acid