2-(Trifluoromethyl)propionaldehyde

Base Information

• Chemical Name: 2-(Trifluoromethyl)propionaldehyde
• CAS No.: 58928-28-2
• Molecular Formula: C4H5F3O
• Molecular Weight: 126.078
• Hs Code.: 2913000090
• European Community (EC) Number: 805-941-8
• DSSTox Substance ID: DTXSID00381967
• Nikkaji Number: J1.143.379K
• Mol file: 58928-28-2.mol

Synonyms:2-(Trifluoromethyl)propionaldehyde;58928-28-2;3,3,3-trifluoro-2-methylpropanal;2-(Trifluoromethyl)propanal;Propanal, 3,3,3-trifluoro-2-methyl-;(trifluoromethyl)propanal;SCHEMBL541819;DTXSID00381967;2-Methyl-3,3,3-trifluoropropanal;MFCD00042425;rac-2-methyl-trifluoropropionaldehyde;AKOS006227624;AS-47859;3,3,3-tris(fluoranyl)-2-methyl-propanal;FT-0691946;F16383;A832077

Chemical Property of 2-(Trifluoromethyl)propionaldehyde

Chemical Property:

• Vapor Pressure: 315mmHg at 25°C
• Refractive Index: 1.313
• Boiling Point: 60°C
• PSA: 17.07000
• Density: 1.16g/cm³
• LogP: 1.38370
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 126.02924926
• Heavy Atom Count: 8
• Complexity: 85.8

Purity/Quality:

98%min ^*data from raw suppliers

2-(Trifluoromethyl)propionaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F
• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C=O)C(F)(F)F

Technology Process of 2-(Trifluoromethyl)propionaldehyde

There total 2 articles about 2-(Trifluoromethyl)propionaldehyde 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: 89.0%

1,1,1-trifluoropropylene (677-21-4) + carbon monoxide (201230-82-2) → 4,4,4-trifluorobutanal (406-87-1) + 3,3,3-trifluoro-2-methylpropionaldehyde (58928-28-2)

Guidance literature:

With hydrogen; carbonylhydridetris(triphenylphosphine)rhodium(I); In toluene; at 80 ℃; for 15h; in an autoclave;

DOI:10.1021/ja00259a020

Reference yield:

1,1,1-trifluoropropylene (677-21-4) + carbon monoxide (201230-82-2) → 4,4,4-trifluorobutanal (406-87-1) + 1,1,1-trifluoropropane (421-07-8) + 3,3,3-trifluoro-2-methylpropionaldehyde (58928-28-2)

Guidance literature:

With hydrogen; hexarhodium hexadecacarbonyl; triphenylphosphine; In toluene; at 110 ℃; for 22h; under 83600.1 Torr; Product distribution; other platinum, cobalt, ruthenium catalyst;

DOI:10.1021/ja00376a057

Reference yield: 80.0%

3,3,3-trifluoro-2-methylpropionaldehyde (58928-28-2) → (2RS)-3,3,3-trifluoro-2-methylpropanoic acid (381-97-5)

Guidance literature:

With sodium chlorite; disodium hydrogenphosphate; dihydrogen peroxide; In acetonitrile; at 10 ℃; for 2h;

DOI:10.1016/S0022-1139(96)03571-3

upstream raw materials:

1,1,1-trifluoropropylene

carbon monoxide

Downstream raw materials:

2-phenyl-4-<2-(trifluoromethyl)propylidene>-5-oxazolone

2-phenyl-4-<2-(trifluoromethyl)propylidene>-5-oxazolone

3,3,3-trifluoro-2-methyl-1-phenylpropan-1-ol

(2RS)-3,3,3-trifluoro-2-methylpropanoic acid

Refernces

• 1、 Ohtsuka, Yuhki,Kobayashi, Osamu,Yamakawa, Tetsu. "Highly selective hydroformylation of 3,3,3-trifluoropropene to 4,4,4-trifluorobutanal using Rh/Xantphos catalyst". . p. 34 - 40. Retrieved 2014/04/03.
• 2、 Ojima, Iwao,Kato, Koji,Okabe, Masami,Fuchikami, Takamasa. "Hydroformylation of Fluoro Olefins, RfCH=CH2, Catalyzed by Group VIII Transition-Metal Catalysts. Crucial Factors for Extremely High Regioselectivity". . p. 7714 - 7720. Retrieved 2007/10/02.