71463-50-8

Basic information

• Product Name: 3-(2,6-dichlorophenyl)-3-oxopropiononitrile
• Synonyms: 3-(2,6-dichlorophenyl)-3-oxopropiononitrile;2,6-Dichlorobenzoylacetonitrile;2,6-Dichloro-β-oxobenzenepropanenitrile;3-(2,6-Dichloro-phenyl)-3-oxo-propionitrile
• CAS NO: 71463-50-8
• Molecular Formula: C₉H₅Cl₂NO
• Molecular Weight: 214.0481
• EINECS: 275-488-3
• Mol File: 71463-50-8.mol
• Article Data: 4

Chemical Properties

• Melting Point: 62-64 °C(Solv: ethyl ether (60-29-7))
• Boiling Point: 307.9 °C at 760 mmHg
• Flash Point: 140 °C
• Appearance: /
• Density: 1.383g/cm³
• Vapor Pressure: 0.000704mmHg at 25°C
• Refractive Index: 1.567
• PKA: 5.04±0.10(Predicted)
• CAS DataBase Reference: 3-(2,6-dichlorophenyl)-3-oxopropiononitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(2,6-dichlorophenyl)-3-oxopropiononitrile(71463-50-8)
• EPA Substance Registry System: 3-(2,6-dichlorophenyl)-3-oxopropiononitrile(71463-50-8)

Safety Data

• Hazardous Substances Data: 71463-50-8(Hazardous Substances Data)

Usage

General Description

3-(2,6-dichlorophenyl)-3-oxopropiononitrile is a chemical compound with the formula C10H4Cl4N2O that is commonly used as an intermediate in the production of other chemicals. It is a yellowish crystalline powder that is soluble in organic solvents but insoluble in water. 3-(2,6-dichlorophenyl)-3-oxopropiononitrile has various industrial applications, including as a precursor in the synthesis of pharmaceuticals, pesticides, and dyes. It is also used in research and development for the production of new chemical compounds. However, it is important to handle this compound with care as it is toxic if ingested and can cause irritation to the skin and eyes. Additionally, it may have harmful effects on aquatic organisms and the environment.

InChI:InChI=1/C9H5Cl2NO/c10-6-2-1-3-7(11)9(6)8(13)4-5-12/h1-3H,4H2

Upstream product

• 14920-87-7 2,6-dichlorobenzoic acid methyl ester 
• 75-05-8 acetonitrile 
• 4659-45-4 2,6-Dichlorobenzoyl chloride 
• 2040-05-3 2,6 dichloroacetophenone 
• 1194-65-6 2,6-dichloro-benzonitrile 
• 78389-09-0 2,6-Dichlorbenzoacetodinitril 
• 151-50-8 potassium cyanide 
• 81547-72-0 2-bromo-1-(2,6-dichloro-phenyl)ethanone 

Downstream Products

• 78389-10-3 2-Amino-3-(2,6-dichlorbenzoyl)-thiophen 
• 78389-11-4 2-(2,6-Dichlorbenzoyl)-4-mercapto-crotonsaeurenitril 
• 1028843-12-0 5-(2,6-dichloro-phenyl)-2H-pyrazol-3-ylamine 
• 868374-55-4 (E)-2-(2,6-dichlorobenzoyl)-3-(1-propylbutylamino)acrylonitrile 
• 1402977-12-1 C₉H₇Cl₂NO 
• 78389-12-5 2-Chloracetylamino-3-(2,6-dichlorbenzoyl)-thiophen 
• 78389-13-6 3-(2,6-Dichlorbenzoyl)-2-jodacetylamino-thiophen 

Relevant articles and documents

Candida tenuis xylose reductase catalyzed reduction of aryl ketones for enantioselective synthesis of active oxetine derivatives

Candida tenuis xylose reductase shows high catalytic efficiencies in carbonyl reduction of acetophenone and 1-phenyl-1-propanone derivatives. The quite low substrate solubility in aqueous buffer systems is circumvented by addition of methanol or by two-phase solvent systems. In the latter, methanol improves the substrate phase transfer as solvent mediator and leads to reasonable space/time yields. Resulting enantiomerically pure chiral alcohols are key intermediates for synthesis of active pharmaceutical ingredients. (R)-Atomoxetine is exemplarily synthesized in four steps, and the further use for generation of other oxetine derivatives and a polo-like kinase 1 inhibitor are discussed. Copyright

CYCLIC COMPOUNDS

There is provided a CRF receptor antagonist comprising a compound of the formula (I): A-W-Ar wherein, A is a group represented by the formula (A1) or (A2) (wherein, ring Aa is a 5-or 6-membered ring which may be further substituted; ring Ab is a 5-or 6-membered ring which may be further substituted; ring Ac is a 5- or 6-membered ring which may be substituted; R1 is optionally substituted alkyl, substituted amino, substituted hydroxy, etc.; X is carbonyl, -O-, -S-, etc.; Y1, Y2 and Q are independently optionally substituted carbon or nitrogen; … is a single or double bond); W is a bond, optionally substituted methylene, optionally substituted imino, -O-, -S-, etc.; Ar is optionally substituted aryl or optionally substituted heteroaryl; or a salt thereof or a prodrug thereof.