3061-65-2

Basic information

• Product Name: 1-ACETOXY-1-CYANOETHYLENE
• Synonyms: 1-Cyanovinyl ester of acetic acid;1-Kyanvinylester kyseliny octove;1-kyanvinylesterkyselinyoctove;2-(acetyloxy)-2-propenenitril;2-(acetyloxy)-2-propenenitrile;2-hydroxy-acrylonitrilacetate;2-hydroxy-acrylonitrilacetate(ester);2-Hydroxyacrylonitrile acetate
• CAS NO: 3061-65-2
• Molecular Formula: C₅H₅NO₂
• Molecular Weight: 111.1
• EINECS: 221-303-6
• Product Categories: Building Blocks;C1 to C5;Chemical Synthesis;Cyanides/Nitriles;Nitrogen Compounds;Organic Building Blocks
• Mol File: 3061-65-2.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 80-82 °C30 mm Hg(lit.)
• Flash Point: 147 °F
• Appearance: /
• Density: 1.061 g/mL at 20 °C(lit.)
• Vapor Pressure: 30 mm Hg ( 80 °C)
• Refractive Index: n20/D 1.426(lit.)
• Storage Temp.: Refrigerator
• BRN: 1751158
• CAS DataBase Reference: 1-ACETOXY-1-CYANOETHYLENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-ACETOXY-1-CYANOETHYLENE(3061-65-2)
• EPA Substance Registry System: 1-ACETOXY-1-CYANOETHYLENE(3061-65-2)

Safety Data

• Hazard Codes: T
• Statements: 23/24/25-41-37/38
• Safety Statements: 36/37/39-45-26
• RIDADR: UN 3276 6.1/PG 2
• WGK Germany: 3
• RTECS: AG4550000
• HazardClass: 6.1(a)
• PackingGroup: II
• Hazardous Substances Data: 3061-65-2(Hazardous Substances Data)

Usage

Safety Profile

Poison by inhalation, ingestion, andskin contact. A skin irritant. Whenheated to decomposition it emits toxic fumes of NOx andCN-.

InChI:InChI=1/C5H5NO2/c1-4(3-6)8-5(2)7/h1H2,2H3

Upstream product

• 631-57-2 Acetyl cyanide 
• 108-24-7 acetic anhydride 
• 75-36-5 acetyl chloride 
• 60-29-7 diethyl ether 
• 6702-21-2 2-acetoxy-3-chloropropanenitrile 
• 121-44-8 triethylamine 
• 463-51-4 Ketene 
• 74-90-8 hydrogen cyanide 
• 110-86-1 pyridine 
• 54276-53-8 2-<(trimethylsilyl)oxy>propenenitrile 

Downstream Products

• 7790-01-4 1,1-dicyanoethyl acetate 
• 100790-47-4 2-oxo-1,2,3,4-tetrahydro-1,4-epoxynaphthalene 
• 64-18-6 formic acid 
• 64-19-7 acetic acid 
• 1236970-62-9 C₂₅H₃₂N₂O₈ 
• 103-84-4 Acetanilid 
• 930-68-7 cyclohexenone 
• 109986-03-0 6-Hydroxycyclohex-2-ene-1-one 
• 108-95-2 phenol 

Relevant articles and documents

A Formylcarbonium Ion Synthon. Synthesis of 3-Thio-Substituted 2-Amino Acids and Thio-Substituted Enamines from 2-Acyloxyacrylonitriles

The utilization of 2-acyloxy-3-phenylthiopropionitriles (2) which were prepared by the Michael addition of thiophenol to 2-acyloxyacrylonitriles (CH2=C(CN)OCOR), as a formylcarbonium ion synthon, was demonstrated by the transformation of 2 into S-phenylcysteine and 2-phenylthio enamines.

Preparing carboxylic acids from glycidonitriles through enol acylates

Process for preparing carboxylic acids by converting a glycidonitrile to the enol acylate via hydrohalogenation, acylation and dehydrohalogenation procedures, and conversion of the enol acylate to the carboxylate salt with a base and of the salt to the carboxylic acid with acid. Cyanide content in the mixture is destroyed by adding persulfate or hypochlorite salts. This process, can be used, e.g., to prepare 2-(4'-isobutylphenyl)propionic acid, now known generically as ibuprofen, a highly active anti-inflammatory drug, as well as a host of other useful carboxylic acids.