2964-33-2

Basic information

• Product Name: 2-[(4-chlorophenyl)methyl]propanedinitrile
• Synonyms: 2-[(4-chlorophenyl)methyl]propanedinitrile
• CAS NO: 2964-33-2
• Molecular Formula: C₁₀H₇ClN₂
• Molecular Weight: 190.63
• Mol File: 2964-33-2.mol
• Article Data: 25

Chemical Properties

• Boiling Point: 370.3°C at 760 mmHg
• Flash Point: 171.5°C
• Appearance: /
• Density: 1.234g/cm³
• Vapor Pressure: 1.12E-05mmHg at 25°C
• Refractive Index: 1.557
• CAS DataBase Reference: 2-[(4-chlorophenyl)methyl]propanedinitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[(4-chlorophenyl)methyl]propanedinitrile(2964-33-2)
• EPA Substance Registry System: 2-[(4-chlorophenyl)methyl]propanedinitrile(2964-33-2)

Safety Data

• Hazardous Substances Data: 2964-33-2(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Tetrahedron Letters, 37, p. 2297, 1996 DOI: 10.1016/0040-4039(96)00247-X

InChI:InChI=1/C10H7ClN2/c11-10-3-1-8(2-4-10)5-9(6-12)7-13/h1-4,9H,5H2

Upstream product

• 1450-14-2 1,1,1,2,2,2-hexamethyldisilane 
• 1867-38-5 4-chlorobenzylidenemalonodinitrile 
• 104-83-6 1-Chloro-4-(chloromethyl)benzene 
• 109-77-3 malononitrile 
• 3001-72-7 DBN 
• 104-88-1 4-chlorobenzaldehyde 
• 37556-13-1 diethyl (4-chlorobenzyl)malonate 
• 1149-23-1 diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate 
• 95-54-5 1,2-diamino-benzene 
• 874533-16-1 (4-chloro-benzyl)-malonic acid diamide 

Downstream Products

• 1867-38-5 4-chlorobenzylidenemalonodinitrile 
• 1607480-82-9 2-(4-chlorophenyl)-2-ethylmalononitrile 
• 32327-71-2 3-(4-chlorophenyl)propanenitrile 

Relevant articles and documents

Enhancing catalytic performance via structure core-shell metal-organic frameworks

A core-shell structure metal-organic framework based on the Zr clusters bridging with BDC linkers (UiO-66) as a core-structure and BPYDC linkers (UiO-67-BPY) as a shell-structure was developed (UiO-67-BPY@UiO-66). The combination of several techniques suc

Catalyst-Free [3 + 3] Annulation/Oxidation of Cyclic Amidines with Activated Olefins: When the Substrate Olefin Is Also an Oxidant

Herein we describe a catalyst-free regioselective [3 + 3] annulation/oxidation reaction of cyclic amidines such as DBU (1,8-diazabicyclo(5.4.0)undec-7-ene) and DBN (1,5-diazabicyclo(4.3.0)non-5-ene) with activated olefins, i.e., 2-arylidenemalononitriles and 2-cyano-3-aryl acrylates, to afford tricyclic 2-pyridones and pyridin-2(1H)-imines, respectively. The mechanism has been proposed based on DFT calculations. In the reaction, the cyclic amidines serve as C,N-bisnucleophiles for the cyclization, while the olefins play a dual role by acting as both reactants and oxidants.

Preparation of O-Protected Cyanohydrins by Aerobic Oxidation of α-Substituted Malononitriles in the Presence of Diarylphosphine Oxides

A mild, reagent-cyanide-free, and efficient synthesis of O-phosphinoyl-protected cyanohydrins from readily available α-substituted malononitriles was realized using diarylphosphine oxides in the presence of O2. Mechanistic studies indicated that in addition to the initial aerobic oxidation of the malononitrile derivative notable features of this process include the formation of a tetrahedral intermediate and a subsequent intramolecular rearrangement. The phosphinoyl-protecting group can be removed by alcoholysis or by reduction with DIBAL-H.