2-Propenyl trimethylacetate

Base Information

• Chemical Name: 2-Propenyl trimethylacetate
• CAS No.: 15784-26-6
• Molecular Formula: C8H14O2
• Molecular Weight: 142.198
• European Community (EC) Number: 857-357-8
• DSSTox Substance ID: DTXSID10462897
• Nikkaji Number: J1.789.005K
• Wikidata: Q82287521
• Mol file: 15784-26-6.mol

Synonyms:15784-26-6;2-propenyl trimethylacetate;Prop-2-enyl 2,2-dimethylpropanoate;PROP-2-EN-1-YL 2,2-DIMETHYLPROPANOATE;Propanoic acid, 2,2-dimethyl-, 2-propen-1-yl ester;allyl pivalate;Propanoic acid, 2,2-dimethyl-, 2-propenyl ester;2-Propen-1-yl pivalate;SCHEMBL194466;DTXSID10462897;GVVKBARIYRBZHC-UHFFFAOYSA-N;PROP-2-EN-1-YL2,2-DIMETHYLPROPANOATE;EN300-366921

Chemical Property of 2-Propenyl trimethylacetate

Chemical Property:

• Boiling Point: 55-56 °C(Press: 36 Torr)
• PSA: 26.30000
• Density: 0.893±0.06 g/cm3(Predicted)
• LogP: 1.76170
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 142.099379685
• Heavy Atom Count: 10
• Complexity: 131

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=O)OCC=C

Technology Process of 2-Propenyl trimethylacetate

There total 3 articles about 2-Propenyl trimethylacetate 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: 86.0%

C10H6F6O2S (1427308-57-3) + pivaloyl chloride (3282-30-2) + allyl alcohol (107-18-6) → allyl t-butyl carbonate (15784-26-6) + allyl 2-((3,5-bis(trifluoromethyl)phenyl)thio)acetate (1427308-55-1)

Guidance literature:

With pyridine; In dichloromethane; at 80 ℃; for 0.75h; Microwave irradiation;

DOI:10.1080/00397911.2011.640970

Reference yield: 24.0%

methacrylic acid methyl ester (80-62-6,114512-63-9,143476-91-9,25188-98-1,9011-14-7) + Cyclopropylamine (765-30-0) + Trimethylacetic acid (75-98-9) → allyl t-butyl carbonate (15784-26-6) + 6-methoxycarbonyl-6-methyl-4,5-diazaspiro<2,4>hept-4-ene (158664-54-1) + cyclopropyl pivalate

Guidance literature:

With n-Butyl nitrite; In chloroform; at 5 ℃; for 16h; Title compound not separated from byproducts;

DOI:10.1023/B:RUCB.0000035655.90713.05

Reference yield:

C8H14N2O2 → NH-pyrazole (288-13-1) + allyl t-butyl carbonate (15784-26-6)

Guidance literature:

With calcium carbonate; In 1,4-dioxane; at 85 - 110 ℃; Yield given. Yields of byproduct given;

DOI:10.3987/COM-89-S107

upstream raw materials:

methacrylic acid methyl ester

Cyclopropylamine

Trimethylacetic acid

C₁₀H₆F₆O₂S

Downstream raw materials:

2,2-dimethyl-1,1-diphenyl-propan-1-ol

2,2-Dimethyl-propionic acid (S)-4-hydroxy-4-phenyl-butyl ester

tert-butyldiphenylsilyl chloride

hydrogen