1-Cyanovinyl acetate

Base Information

• Chemical Name: 1-Cyanovinyl acetate
• CAS No.: 3061-65-2
• Molecular Formula: C5H5 N O2
• Molecular Weight: 111.1
• Hs Code.: 2926909090
• European Community (EC) Number: 221-303-6
• NSC Number: 512313
• DSSTox Substance ID: DTXSID40184676
• Nikkaji Number: J54.194J
• Wikidata: Q83055594
• Mol file: 3061-65-2.mol

Synonyms:1-cyanovinyl acetate

Chemical Property of 1-Cyanovinyl acetate

Chemical Property:

• Vapor Pressure: 30 mm Hg ( 80 °C)
• Refractive Index: n20/D 1.426(lit.)
• Boiling Point: 173.2°Cat760mmHg
• Flash Point: 63.9°C
• PSA: 50.09000
• Density: 1.08g/cm³
• LogP: 0.58678
• Storage Temp.: Refrigerator
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 111.032028402
• Heavy Atom Count: 8
• Complexity: 163

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Cyanovinyl Acetate (stabilized with TBC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 23/24/25-41-37/38
• Safety Statements: 36/37/39-45-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)OC(=C)C#N

Technology Process of 1-Cyanovinyl acetate

There total 9 articles about 1-Cyanovinyl acetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

2-<(trimethylsilyl)oxy>propenenitrile (54276-53-8) + acetic anhydride (108-24-7) → 2-acetoxyacrylonitrile (3061-65-2)

Guidance literature:

With iron(III) chloride; for 24h; Ambient temperature;

Reference yield: 87.0%

→ 2-acetoxyacrylonitrile (3061-65-2)

Guidance literature:

Reference yield:

Ketene (463-51-4) + hydrogen cyanide (74-90-8) → 2-acetoxyacrylonitrile (3061-65-2)

Guidance literature:

DOI:10.1021/ja01240a004

upstream raw materials:

pyridine

Ketene

diethyl ether

hydrogen cyanide

Downstream raw materials:

ethyl acetate

trans-1-Acetoxy-1-cyano-2-methyl-2-phenylcyclopropane

5-acetoxy-N-tert-butyl-5-cyano-3-phenylisoxazolidine

(adamant-1-yl)-acetic acid

Refernces

• 1、 Hertenstein, Ulrich,Huenig, Siegfried,Reichelt, Helmut,Schaller, Rainer. "Trimethylsilyl Cyanide - A Reagent for Umpolung, VIII. Derivatives of 2-(Trimethylsilyloxy)-2-propenenitrile. Syntheses and General Properties". . p. 261 - 287. Retrieved 2007/10/02.