2-(3,4-dichlorophenyl)-3-oxobutanenitrile

Base Information

• Chemical Name: 2-(3,4-dichlorophenyl)-3-oxobutanenitrile
• CAS No.: 6097-31-0
• Molecular Formula: C₁₀H₇Cl₂NO
• Molecular Weight: 228.078
• Mol file: 6097-31-0.mol

Synonyms:Acetoacetonitrile, 2-(3,4-dichlorophenyl)- (7CI,8CI);2-(3,4-dichlorophenyl)-3-oxo-butanenitrile;benzeneacetonitrile, α-acetyl-3,4-dichloro-;

Chemical Property of 2-(3,4-dichlorophenyl)-3-oxobutanenitrile

Chemical Property:

• Vapor Pressure: 0.000931mmHg at 25°C
• Melting Point: 161-163 °C
• Refractive Index: 1.556
• Boiling Point: 303.4 °C at 760 mmHg
• Flash Point: 137.3 °C
• PSA: 40.86000
• Density: 1.338 g/cm³
• LogP: 3.18958

Purity/Quality:

99% ^*data from raw suppliers

2-(3,4-Dichlorophenyl)-3-oxobutanenitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-(3,4-dichlorophenyl)-3-oxobutanenitrile

There total 2 articles about 2-(3,4-dichlorophenyl)-3-oxobutanenitrile 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:

ethyl acetate (141-78-6) + 3,4-dichloro-benzeneacetonitrile (3218-49-3) → 2-(3,4-dichloro-phenyl)-acetoacetonitrile (6097-31-0)

Guidance literature:

3,4-dichloro-benzeneacetonitrile; With sodium hydride; In tetrahydrofuran; mineral oil; for 0.0833333h;

ethyl acetate; In tetrahydrofuran; mineral oil; at 60 ℃;

DOI:10.1039/c8md00068a

Reference yield:

→ 2-(3,4-dichloro-phenyl)-acetoacetonitrile (6097-31-0)

Guidance literature:

/BRN= 3267436/;

DOI:10.1021/jo01108a605

Reference yield: 73.0%

2-(3,4-dichloro-phenyl)-acetoacetonitrile (6097-31-0) → 4-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-amine

Guidance literature:

With hydrazine dihydrochloride; In ethanol; Reflux; Molecular sieve;

DOI:10.1039/c8md00068a

upstream raw materials:

ethyl acetate

3,4-dichloro-benzeneacetonitrile

Downstream raw materials:

3-ethoxy-2-(3,4-dichloro-phenyl)-crotononitrile

Refernces