5558-68-9

Basic information

• Product Name: 2,2-Diphenylbutyronitrile
• Synonyms: 2,2-diphenylbutanenitrile
• CAS NO: 5558-68-9
• Molecular Formula: C₁₆H₁₅N
• Molecular Weight: 221.297
• EINECS: 226-926-7
• Mol File: 5558-68-9.mol
• Article Data: 12

Chemical Properties

• Boiling Point: 339.5°C at 760 mmHg
• Flash Point: 165.2°C
• Density: 1.04g/cm³
• Vapor Pressure: 9.14E-05mmHg at 25°C
• Refractive Index: 1.562
• CAS DataBase Reference: 2,2-Diphenylbutyronitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2-Diphenylbutyronitrile(5558-68-9)
• EPA Substance Registry System: 2,2-Diphenylbutyronitrile(5558-68-9)

Safety Data

• Hazardous Substances Data: 5558-68-9(Hazardous Substances Data)

Usage

General Description

2,2-Diphenylbutyronitrile, also known as benzhydryl cyanide, is a chemical compound with the molecular formula C16H13N. It is a white crystalline solid that is soluble in organic solvents and often used as a building block in organic synthesis. It is commonly employed in the manufacturing of pharmaceuticals, perfumes, and dyes, as well as in the production of other chemicals. 2,2-Diphenylbutyronitrile is known for its strong odor and is classified as a hazardous substance, requiring handling and storage in accordance with strict safety regulations. Its chemical structure and properties make it a versatile and valuable compound in the field of organic chemistry.

Upstream product

• 769-68-6 2-phenylbutanenitrile 
• 86-29-3 Diphenylacetonitrile 
• 74-96-4 ethyl bromide 
• 108-86-1 bromobenzene 
• 109-74-0 propyl cyanide 
• 108-90-7 chlorobenzene 
• 778-66-5 1,1-diphenyl-1-propene 
• 39186-58-8 4-bromo-2,2-diphenylbutyronitrile 

Downstream Products

• 4226-57-7 2,2-diphenylbutanoic acid 
• 5466-38-6 2,2-diphenyl-butyric acid amide 
• 1530-03-6 1,1-diphenylpropane 
• 132859-60-0 1,2,2-triphenyl-butan-1-one 
• 905-00-0 2,2-diphenyl-butyric acid-(2-diethylamino-ethyl ester) 
• 857198-56-2 2,2-diphenyl-butyryl chloride 
• 94911-65-6 2,2-diphenyl-butyric acid-(2-dimethylamino-ethyl ester); hydrochloride 
• 2618-37-3 2,2-diphenyl-butyric acid-(2-diethylamino-ethyl ester); hydrochloride 
• 95292-65-2 2,2-diphenyl-butyric acid-(3-diethylamino-propyl ester); hydrochloride 
• 105539-07-9 2,2-diphenyl-butyraldehyde 

Relevant articles and documents

Cavity-promotion by pillar[5]arenes expedites organic photoredox-catalysed reductive dehalogenations

The efficiency of the photo-induced electron transfer in photoredox catalysis is limited by the diffusional collision of the excited catalyst and the substrate. We herein present cavity-bound photoredox catalysts, which preassociate the substrates, leading to significantly shortened reaction times. A pillar[5]arene serves as the cavity and phenothiazine as a catalyst in the reductive dehalogenation of aliphatic bromides as a proof of concept reaction.

Dehalogenative Deuteration of Unactivated Alkyl Halides Using D2O as the Deuterium Source

The general dehalogenation of alkyl halides with zinc using D2O or H2O as a deuterium or hydrogen donor has been developed. The method provides an efficient and economic protocol for deuterium-labeled derivatives with a wide substrate scope under mild reaction conditions. Mechanistic studies indicated that a radical process is involved for the formation of organozinc intermediates. The facile hydrolysis of the organozinc intermediates provides the driving force for this transformation.

Synergistic effect of a bis(proazaphosphatrane) in mild palladium-catalyzed direct α-arylations of nitriles with aryl chlorides

The effect of a bis(proazaphosphatrane) ligand on the palladium-catalyzed direct α-arylation of nitriles with various aryl chlorides under mild conditions is reported. Comparisons of the catalytic properties of this ligand with those of three related mono(proazaphosphatrane)s under the same reaction conditions revealed that bis(proazaphosphatrane) displayed a synergistically enhanced activity. In the presence of the bis(proazaphosphatrane) ligand, ethyl cyanoacetate and primary as well as secondary nitriles were efficiently coupled with a wide variety of aryl chlorides that contained electron-rich, electron-poor, and electron-neutral groups.