56756-91-3

Basic information

• Product Name: 2-cyanopropan-2-yl acetate
• CAS NO: 56756-91-3
• Molecular Formula: C₆H₉NO₂
• Molecular Weight: 127.1412
• Mol File: 56756-91-3.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 185.2°C at 760 mmHg
• Flash Point: 73.6°C
• Density: 1.021g/cm³
• Vapor Pressure: 0.705mmHg at 25°C
• Refractive Index: 1.419
• CAS DataBase Reference: 2-cyanopropan-2-yl acetate(CAS DataBase Reference)
• NIST Chemistry Reference: 2-cyanopropan-2-yl acetate(56756-91-3)
• EPA Substance Registry System: 2-cyanopropan-2-yl acetate(56756-91-3)

Safety Data

• Hazardous Substances Data: 56756-91-3(Hazardous Substances Data)

Upstream product

• 108-24-7 acetic anhydride 
• 75-36-5 acetyl chloride 
• 75-86-5 2-hydroxy-2-methylpropanenitrile 
• 143-33-9 sodium cyanide 
• 67-64-1 acetone 
• 463-51-4 Ketene 
• 7664-93-9 sulfuric acid 
• 7601-90-3 perchloric acid 

Downstream Products

• 74-90-8 hydrogen cyanide 
• 67-64-1 acetone 
• 126-98-7 methacrylonitrile 
• 74764-51-5 2-(pyridine-2-yl)benzonitrile 
• 1608-79-3 1-amino-2-methyl-1-oxopropan-2-yl acetate 
• 13027-88-8 2-hydroxyisobutyramide 
• 79-41-4 poly(methacrylic acid) 

Relevant articles and documents

Copper-mediated direct aryl C-H cyanation with azobisisobutyronitrile via a free-radical pathway

An unprecedented protocol for the copper-mediated direct cyanation of aryl C-H by employing 2,2′-azobisisobutyronitrile (AIBN) as a free radical "CN" source is presented. The protocol not only provides a more efficient pathway for the synthesis of aryl nitriles in terms of the yields and the loading amount of copper salts but also, more importantly, represents a novel strategy for aryl C-H cyanation via a CN free-radical mechanism as compared to the CN anion-participating protocols often reported.

Synthesis of 4-amino-2(5H)-furanones through intra- and intermolecular nitrile addition of ester enolates. Construction of carbon framework of an antitumor antibiotic basidalin

-

Thermolytic reactions of esters. Part XIII. The effect of electron-attracting α-substituents in alkyl acetates

α-Alkylation of esters, e.g.AcO-iPr -> AcO-tBu, results in a large rate increase for β-elimination of acetic acid, indicating that in the transition state Cα is positively charged.Replacement of α-H by electron-attracting groups Z, such as COOMe, also enhances the rate of formation of alkene.Neither differences in product stability nor steric acceleration appear to play a significant role.A major factor is dipolar destabilization of starting compounds containing two electronegative groups, such as AcOCMeZ compared with AcO-tBu.The free energies of the transition states are found to parallel those of the fully ionized species, AcO(-) + R(+).At elevated temperatures, esters such as AcOCMe(CN)Ph will give rise to O-C bond homolysis rather than to molecular elimination of acetic acid.