2-(Hydroxymethyl)-3-(4-nitrophenyl)propanenitrile

Base Information

• Chemical Name: 2-(Hydroxymethyl)-3-(4-nitrophenyl)propanenitrile
• CAS No.: 2286-51-3
• Molecular Formula: C₁₀H₁₀N₂O₃
• Molecular Weight: 206.201
• DSSTox Substance ID: DTXSID30562828
• Mol file: 2286-51-3.mol

Synonyms:2286-51-3;2-(Hydroxymethyl)-3-(4-nitrophenyl)propanenitrile;DTXSID30562828

Chemical Property of 2-(Hydroxymethyl)-3-(4-nitrophenyl)propanenitrile

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 206.06914219
• Heavy Atom Count: 15
• Complexity: 258

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(CO)C#N)[N+](=O)[O-]

Technology Process of 2-(Hydroxymethyl)-3-(4-nitrophenyl)propanenitrile

There total 1 articles about 2-(Hydroxymethyl)-3-(4-nitrophenyl)propanenitrile 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-cyano-3-(4-nitrophenyl)-2-propenoic acid ethyl ester (2017-89-2,2286-33-1,96238-12-9) → 2-cyano-3-(4-nitrophenyl)propionic acid ethyl ester (52906-63-5) + 2-Hydroxymethyl-3-(4-nitro-phenyl)-propionitrile (2286-51-3)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 20 - 25 ℃;

DOI:10.1016/j.tet.2016.03.097

Reference yield:

2-Hydroxymethyl-3-(4-nitro-phenyl)-propionitrile (2286-51-3) → 2-(4-Nitro-benzyl)-acrylonitrile (104239-16-9)

Guidance literature:

With methanesulfonyl chloride; triethylamine; In dichloromethane; for 20h; Yield given; Ambient temperature;

upstream raw materials:

2-cyano-3-(4-nitrophenyl)-2-propenoic acid ethyl ester

Downstream raw materials:

2-(4-Nitro-benzyl)-acrylonitrile