(2Z)-(4-Chlorophenyl)[(4E)-4-(hydroxyimino)-3-methoxycyclohexa-2,5-dien-1-ylidene]acetonitrile

Base Information

• Chemical Name: (2Z)-(4-Chlorophenyl)[(4E)-4-(hydroxyimino)-3-methoxycyclohexa-2,5-dien-1-ylidene]acetonitrile
• CAS No.: 844-44-0
• Molecular Formula: C15H11ClN2O2
• Molecular Weight: 286.713
• DSSTox Substance ID: DTXSID10421909

Synonyms:DTXSID10421909;844-44-0;(2Z)-(4-Chlorophenyl)[(4E)-4-(hydroxyimino)-3-methoxycyclohexa-2,5-dien-1-ylidene]acetonitrile

Chemical Property of (2Z)-(4-Chlorophenyl)[(4E)-4-(hydroxyimino)-3-methoxycyclohexa-2,5-dien-1-ylidene]acetonitrile

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 479.415°C at 760 mmHg
• Flash Point: 243.742°C
• Density: 1.242g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 286.0509053
• Heavy Atom Count: 20
• Complexity: 544

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: COC1=CC(=C(C#N)C2=CC=C(C=C2)Cl)C=CC1=NO
• Isomeric SMILES: COC\1=C/C(=C(\C#N)/C2=CC=C(C=C2)Cl)/C=C/C1=N\O

Technology Process of (2Z)-(4-Chlorophenyl)[(4E)-4-(hydroxyimino)-3-methoxycyclohexa-2,5-dien-1-ylidene]acetonitrile

There total 2 articles about (2Z)-(4-Chlorophenyl)[(4E)-4-(hydroxyimino)-3-methoxycyclohexa-2,5-dien-1-ylidene]acetonitrile 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: 85.0%

2-Nitroanisole (91-23-6) + p-chlorobenzyl cyanide (140-53-4) → 2-Methoxy-4-<4-chlor-α-cyan-benzyliden>-2,5-cyclohexadien-1-on-oxim (844-44-0)

Guidance literature:

In water; at 20 ℃; for 0.666667h; Milling; Green chemistry;

DOI:10.1039/c5ra23606a

Reference yield:

→ 2-Methoxy-4-<4-chlor-α-cyan-benzyliden>-2,5-cyclohexadien-1-on-oxim (844-44-0)

Guidance literature:

4-Chlor-phenylacetonitril, 2-Nitro-anisol, methanol. KOH, 50-55grad, 4 h;

upstream raw materials:

2-Nitroanisole

p-chlorobenzyl cyanide

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