Vinyl pivalate

Base Information

• Chemical Name: Vinyl pivalate
• CAS No.: 3377-92-2
• Molecular Formula: C7H12 O2
• Molecular Weight: 128.171
• Hs Code.: 29156000
• European Community (EC) Number: 222-175-4
• NSC Number: 83563
• UNII: OE2QZI7C0U
• DSSTox Substance ID: DTXSID30883969
• Nikkaji Number: J147.231C
• Wikidata: Q20973571
• Mol file: 3377-92-2.mol

Synonyms:Vinyl pivalate;3377-92-2;Ethenyl 2,2-dimethylpropanoate;Pivalic acid vinyl ester;vinyl neo-pentanoate;Vinyl trimethylacetate;Vynate Neo 5;VeoVa 5;Propanoic acid, 2,2-dimethyl-, ethenyl ester;UNII-OE2QZI7C0U;OE2QZI7C0U;Pivalic acid, vinyl ester;Trimethylacetic Acid Vinyl Ester;EINECS 222-175-4;NSC-83563;veova5;Vinyl pivalate #;SCHEMBL37236;Ethenyl2,2-dimethylpropanoate;DTXSID30883969;NSC83563;MFCD00059211;NSC 83563;AKOS015916136;FT-0695359;P0668;Propanoic acid, 2,2-dimethyl-, vinyl ester;EN300-153640;Q20973571;Vinyl pivalate, contains hydroquinone as inhibitor, 99%

Chemical Property of Vinyl pivalate

Chemical Property:

• Appearance/Colour: liquid (generally supplied with inhibitor)
• Vapor Pressure: 8.97mmHg at 25°C
• Melting Point: -78°C
• Refractive Index: n20/D 1.405(lit.)
• Boiling Point: 145.1°Cat760mmHg
• Flash Point: 38.4°C
• PSA: 26.30000
• Density: 0.898g/cm³
• LogP: 1.71920
• Solubility.: soluble in Methanol
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 128.083729621
• Heavy Atom Count: 9
• Complexity: 119

Purity/Quality:

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

Vinyl pivalate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,T
• Statements: 45-46-11-20/21/22-36/37/38
• Safety Statements: 53-16-23-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)C(=O)OC=C

Technology Process of Vinyl pivalate

There total 12 articles about Vinyl pivalate 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: 82.0%

bis(formylmethyl)mercury (4387-13-7) + pivaloyl chloride (3282-30-2) → vinyl pivalate (3377-92-2,26715-88-8)

Guidance literature:

In 1,2-dimethoxyethane; Heating;

DOI:10.1021/ja00381a020

Reference yield: 74.0%

→ vinyl pivalate (3377-92-2,26715-88-8)

Guidance literature:

With 1,10-Phenanthroline; palladium diacetate; at 140 ℃; for 1.25h; under 15001.5 Torr;

Reference yield: 39.0%

vinyl acetate (108-05-4,9003-20-7) + 2,2-dimethylpropanoic anhydride (1538-75-6) → vinyl pivalate (3377-92-2,26715-88-8)

Guidance literature:

vinyl acetate; With potassium tert-butylate; In tetrahydrofuran; at -40 - -30 ℃; Inert atmosphere;

2,2-dimethylpropanoic anhydride; In tetrahydrofuran; at -40 - -30 ℃; Inert atmosphere;

DOI:10.1002/hlca.201300396

upstream raw materials:

pivaloyl chloride

acetaldehyde

vinyl acetate

Trimethylacetic acid

Downstream raw materials:

2,2-dimethyl-propionylium

acetaldehyde

isobutene

2,2-Dimethyl-propionic acid (1S,2R)-4-oxo-2-vinyl-cyclohexyl ester