2-Formyl-3-(4-methylphenyl)prop-2-enenitrile

Base Information

• Chemical Name: 2-Formyl-3-(4-methylphenyl)prop-2-enenitrile
• CAS No.: 65430-29-7
• Molecular Formula: C11H9NO
• Molecular Weight: 171.199
• DSSTox Substance ID: DTXSID50705917
• Mol file: 65430-29-7.mol

Synonyms:65430-29-7;2-Formyl-3-(4-methylphenyl)prop-2-enenitrile;DTXSID50705917

Chemical Property of 2-Formyl-3-(4-methylphenyl)prop-2-enenitrile

Chemical Property:

• PSA: 40.86000
• LogP: 2.10088
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 171.068413911
• Heavy Atom Count: 13
• Complexity: 251

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C=C(C=O)C#N

Technology Process of 2-Formyl-3-(4-methylphenyl)prop-2-enenitrile

There total 7 articles about 2-Formyl-3-(4-methylphenyl)prop-2-enenitrile 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%

(E)-2-Hydroxymethyl-3-p-tolyl-acrylonitrile (172658-60-5) → (E)-2-formyl-3-p-tolylacrylonitrile (65430-29-7)

Guidance literature:

With Oxone; 1-hydroxy-1,2-benzodioxol-3-(1H)-one; In acetonitrile; at 20 ℃; for 4h; Reflux; Green chemistry;

DOI:10.1039/c6nj02628a

Reference yield: 80.0%

2-(hydroxy(p-tolyl)methyl)acrylonitrile (22141-39-5) → (E)-2-formyl-3-p-tolylacrylonitrile (65430-29-7)

Guidance literature:

With sodium nitrate; at 80 ℃; for 1.3h;

DOI:10.1016/j.tetlet.2008.03.016

Reference yield: 71.0%

(2E) 2-bromomethyl-3-(4-methylphenyl)prop-2-enenitrile → (E)-2-formyl-3-p-tolylacrylonitrile (65430-29-7)

Guidance literature:

With sodium hydrogencarbonate; In dimethyl sulfoxide; at 20 ℃; for 2h;

DOI:10.1081/SCC-100104470

upstream raw materials:

3,3-dimethoxypropionitrile

ISOXAZOLE

4-methyl-benzaldehyde

(E)-2-Hydroxymethyl-3-p-tolyl-acrylonitrile

Downstream raw materials:

2-amino-4-p-tolyl-4H-pyran-3,5-dicarbonitrile

1-methyl-4-p-tolyl-1H-pyrrole-3-carbonitrile