2-Phenyl-3-(4-methoxyphenyl)propenenitrile

Base Information

• Chemical Name: 2-Phenyl-3-(4-methoxyphenyl)propenenitrile
• CAS No.: 5432-07-5
• Molecular Formula: C16H13NO
• Molecular Weight: 235.285
• NSC Number: 13697
• Nikkaji Number: J581.947D
• Mol file: 5432-07-5.mol

Synonyms:NSC13697;5432-07-5;NSC-13697;AKOS024342546;(2E)-3-(4-methoxyphenyl)-2-phenyl-2-propenenitrile

Chemical Property of 2-Phenyl-3-(4-methoxyphenyl)propenenitrile

Chemical Property:

• Vapor Pressure: 4.03E-06mmHg at 25°C
• Boiling Point: 384.6°Cat760mmHg
• Flash Point: 161.9°C
• Density: 1.12g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 235.099714038
• Heavy Atom Count: 18
• Complexity: 324

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C=C(C#N)C2=CC=CC=C2
• Isomeric SMILES: COC1=CC=C(C=C1)/C=C(/C#N)\C2=CC=CC=C2

Technology Process of 2-Phenyl-3-(4-methoxyphenyl)propenenitrile

There total 9 articles about 2-Phenyl-3-(4-methoxyphenyl)propenenitrile 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: 99.0%

phenylacetonitrile (140-29-4) + 4-methoxy-benzaldehyde (123-11-5) → 4-methoxy-α-phenylcinnamonitrile (5432-07-5)

Guidance literature:

With C₁₈H₁₃BrMnN₃O₃S; potassium tert-butylate; In tert-Amyl alcohol; at 140 ℃; for 0.25h; Inert atmosphere;

DOI:10.1021/acscatal.8b02998

Reference yield: 99.0%

phenylacetonitrile (140-29-4) + 4-methoxy-benzaldehyde (123-11-5) → (Z)-3-(4-methoxyphenyl)-2-phenylacrylonitrile (5432-07-5)

Guidance literature:

With P(MeNCH₂CH₂)3N; In methanol; at 40 ℃; for 3h;

DOI:10.1021/jo972343u

Reference yield: 91.0%

phenylacetonitrile (140-29-4) + 4-Methoxybenzyl alcohol (105-13-5) → (Z)-3-(4-methoxyphenyl)-2-phenylacrylonitrile (5432-07-5)

Guidance literature:

With C₂₃H₄₀MnNO₂P₂; In toluene; at 135 ℃; for 44h; Sealed tube;

DOI:10.1021/jacs.7b06993

upstream raw materials:

sodium ethanolate

phenylacetonitrile

4-methoxy-benzaldehyde

4-Methoxybenzyl alcohol

Downstream raw materials:

2-ethyl-3-(4-methoxy-phenyl)-2-phenyl-valeronitrile

phenylacetonitrile

(2Z)-2,3-bis(4-methoxyphenyl)prop-2-enenitrile

(E)-α-phenyl-β-(p-methoxyphenyl) acrylonitrile