4,4,4-Trifluoro-3-(trifluoromethyl)crotonaldehyde

Base Information

• Chemical Name: 4,4,4-Trifluoro-3-(trifluoromethyl)crotonaldehyde
• CAS No.: 104291-39-6
• Molecular Formula: C₅H₂F₆O
• Molecular Weight: 192.061
• Hs Code.: 2916199590
• Mol file: 104291-39-6.mol

Synonyms:4,4,4-Trifluoro-3-(trifluoromethyl)crotonaldehyde

Chemical Property of 4,4,4-Trifluoro-3-(trifluoromethyl)crotonaldehyde

Chemical Property:

• Boiling Point: 71℃ (760 Torr)
• PSA: 17.07000
• Density: 1.427±0.06 g/cm3(Predicted)
• LogP: 2.23630

Purity/Quality:

99% ^*data from raw suppliers

4,4,4-Trifluoro-3-(trifluoromethyl)crotonaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4,4,4-Trifluoro-3-(trifluoromethyl)crotonaldehyde

There total 2 articles about 4,4,4-Trifluoro-3-(trifluoromethyl)crotonaldehyde 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: 54.0%

(2-oxoethyl)phosphonic acid diethyl ester (1606-75-3) + Hexafluoroacetone (684-16-2) → 4,4,4-Trifluoro-3-(trifluoromethyl)-2-butenal (104291-39-6)

Guidance literature:

With potassium tert-butylate; hydroquinone; In dibutyl ether; at 20 ℃; for 120h;

Reference yield: 22.0%

2,2-bis(trifluoromethyl)-4-fluorooxetane (3440-95-7) → 4,4,4-Trifluoro-3-(trifluoromethyl)-2-butenal (104291-39-6) + 2-(3,3,3-trifluoro-2-trifluoromethyl-1-propenyl)-4-(3,3,3-trifluoro-2-trifluoromethyl-2-hydroxy propyl)-1,3-dioxetane + 2-(3,3,3-trifluoro-2-trifluoromethyl-1-propenyl)-4,4-bis(trifluoromethyl)-1,3-diox-5-ene

Guidance literature:

With sulfuric acid;

DOI:10.1016/S0022-1139(00)83066-3

Reference yield: 98.0%

toluene-4-sulfonic acid hydrazide (1576-35-8) + 4,4,4-Trifluoro-3-(trifluoromethyl)-2-butenal (104291-39-6) → 4,4,4-Trifluoro-4-(4-methylphenylsulfonylhydrazono)-2-(trifluoromethyl)-2-butene

Guidance literature:

In dichloromethane;

upstream raw materials:

2,2-bis(trifluoromethyl)-4-fluorooxetane

(2-oxoethyl)phosphonic acid diethyl ester

Hexafluoroacetone

Downstream raw materials:

2-Methyl-6,6-bis(trifluormethyl)-4-cyclohexencarbaldehyd

6,6-Bis(trifluormethyl)-3-cyclohexencarbaldehyd

4-Hydroxy-4-<6,6-bis(trifluormethyl)-3-cyclohexenyl>-3-butanon

Refernces

• 1、 Haas, Alois,Lieb, Max,Zwingenberger, Joerg. "Synthesis of Bis(trifluoromethyl)-Substituted Olefins: Methods of Preparation and Properties". . p. 2027 - 2036. Retrieved 2007/10/03.