alpha-[2,3-Dichloro-4-(hydroxyimino)-2,5-cyclohexadien-1-ylidene]benzeneacetonitrile

Base Information

• Chemical Name: alpha-[2,3-Dichloro-4-(hydroxyimino)-2,5-cyclohexadien-1-ylidene]benzeneacetonitrile
• CAS No.: 731-63-5
• Molecular Formula: C14H8Cl2N2O
• Molecular Weight: 291.13200
• European Community (EC) Number: 651-960-8
• Nikkaji Number: J309.039F
• Mol file: 731-63-5.mol

Synonyms:alpha-[2,3-Dichloro-4-(hydroxyimino)-2,5-cyclohexadien-1-ylidene]benzeneacetonitrile;731-63-5

Chemical Property of alpha-[2,3-Dichloro-4-(hydroxyimino)-2,5-cyclohexadien-1-ylidene]benzeneacetonitrile

Chemical Property:

• PSA: 56.38000
• LogP: 4.05298
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 290.0013683
• Heavy Atom Count: 19
• Complexity: 543

Purity/Quality:

95% ^*data from raw suppliers

2,3-DICHLORO-4-HYDROXYIMINO-ALPHA-PHENYL-2,5-CYCLOHEXADIENE-DELTA1-ALPHA-ACETONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=C2C=CC(=NO)C(=C2Cl)Cl)C#N
• Isomeric SMILES: C1=CC=C(C=C1)/C(=C/2\C=C/C(=N/O)/C(=C2Cl)Cl)/C#N

Technology Process of alpha-[2,3-Dichloro-4-(hydroxyimino)-2,5-cyclohexadien-1-ylidene]benzeneacetonitrile

There total 2 articles about alpha-[2,3-Dichloro-4-(hydroxyimino)-2,5-cyclohexadien-1-ylidene]benzeneacetonitrile 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: 78.0%

1,2-Dichloro-3-nitrobenzene (3209-22-1) + phenylacetonitrile (140-29-4) → 2,3-Dichlor-4-<α-cyan-benzyliden>-2,5-cyclohexadien-1-on-oxim (731-63-5)

Guidance literature:

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

DOI:10.1039/c5ra23606a

Reference yield:

→ 2,3-Dichlor-4-<α-cyan-benzyliden>-2,5-cyclohexadien-1-on-oxim (731-63-5)

Guidance literature:

aus Phenylacetonitril, 2,3-Dichlor-1-nitro-benzol, methanol. KOH <50-55grad, 4 h>;

upstream raw materials:

1,2-Dichloro-3-nitrobenzene

phenylacetonitrile

Refernces