Ethanone, 1-bicyclo[2.2.2]octa-2,5-dien-2-yl-2,2,2-trifluoro- (9CI)

Base Information

• Chemical Name: Ethanone, 1-bicyclo[2.2.2]octa-2,5-dien-2-yl-2,2,2-trifluoro- (9CI)
• CAS No.: 329915-29-9
• Molecular Formula: C₁₀H₉F₃O
• Molecular Weight: 202.176
• Mol file: 329915-29-9.mol

Synonyms:Ethanone, 1-bicyclo[2.2.2]octa-2,5-dien-2-yl-2,2,2-trifluoro- (9CI)

Chemical Property of Ethanone, 1-bicyclo[2.2.2]octa-2,5-dien-2-yl-2,2,2-trifluoro- (9CI)

Chemical Property:

• Boiling Point: 90 - 92 °C (20 mmHg)
• PSA: 17.07000
• LogP: 2.64020

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Ethanone, 1-bicyclo[2.2.2]octa-2,5-dien-2-yl-2,2,2-trifluoro- (9CI)

There total 3 articles about Ethanone, 1-bicyclo[2.2.2]octa-2,5-dien-2-yl-2,2,2-trifluoro- (9CI) 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: 85.0%

cyclohexa-1,3-diene (1165952-91-9) + methyl β-(trifluoroacetyl)vinyl sulfone (329915-00-6) → 1-bicyclo[2.2.2]octa-2,5-dien-2-yl-2,2,2-trifluoroethanone (329915-29-9)

Guidance literature:

cyclohexa-1,3-diene; methyl β-(trifluoroacetyl)vinyl sulfone; In dichloromethane; at 20 ℃;

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at 20 ℃;

DOI:10.1016/S0040-4020(00)00980-7

Reference yield: 75.0%

cyclohexa-1,3-diene (1165952-91-9) + phenyl β-(trifluoroacetyl)vinyl sulfone (329914-99-0) → 1-bicyclo[2.2.2]octa-2,5-dien-2-yl-2,2,2-trifluoroethanone (329915-29-9)

Guidance literature:

cyclohexa-1,3-diene; phenyl β-(trifluoroacetyl)vinyl sulfone; In dichloromethane; at 20 ℃;

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at 20 ℃;

DOI:10.1016/S0040-4020(00)00980-7

Reference yield: 72.0%

1,1,1-trifluorobut-3-yn-2-one (99048-74-5) + cyclohexa-1,3-diene (1165952-91-9) → 1-bicyclo[2.2.2]octa-2,5-dien-2-yl-2,2,2-trifluoroethanone (329915-29-9)

Guidance literature:

In diethyl ether; at 20 ℃; for 12h;

DOI:10.1134/S0012500806060012

upstream raw materials:

cyclohexa-1,3-diene

methyl β-(trifluoroacetyl)vinyl sulfone

phenyl β-(trifluoroacetyl)vinyl sulfone

1,1,1-trifluorobut-3-yn-2-one