Trifluoroacetaldehyde

Base Information

• Chemical Name: Trifluoroacetaldehyde
• CAS No.: 75-90-1
• Molecular Formula: C2H F3 O
• Molecular Weight: 98.0245
• Hs Code.: 2913000090
• European Community (EC) Number: 200-914-1
• NSC Number: 9446
• DSSTox Substance ID: DTXSID3058791
• Nikkaji Number: J192.552K
• Wikidata: Q81988518,Q82002539
• Mol file: 75-90-1.mol

Synonyms:TFALD;trifluoroacetaldehyde;trifluoroacetaldehyde, 1-(2)H-labeled

Chemical Property of Trifluoroacetaldehyde

Chemical Property:

• Vapor Pressure: 4740mmHg at 25°C
• Boiling Point: -20 °C
• PSA: 17.07000
• Density: 1.302g/cm³
• LogP: 0.74760
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 97.99794914
• Heavy Atom Count: 6
• Complexity: 54.3

Purity/Quality:

99% ^*data from raw suppliers

2,2,2-Trifluoroacetaldehyde ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=O)C(F)(F)F
• Uses: 2,2,2-Trifluoroacetaldehyde is used in the synthesis of GABAB agonists which may be used in the therapeutic treatment of pain. Also used in the synthesis of ketone based inhibitors of human renin. Trifluoroacetaldehyde is a reagent used in the synthesis of GABAB activators.

Technology Process of Trifluoroacetaldehyde

There total 92 articles about Trifluoroacetaldehyde 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: 96.0%

1-isopropenyl-4-nitro-benzene (1830-68-8) → 2,2,2-trifluoroethanol (75-89-8) + 2,2,2-Trifluoroacetaldehyde (75-90-1) + (4-nitrophenyl)ethanone (100-19-6)

Guidance literature:

With Togni's reagent; C₁₄H₁₆Br₂NO₅V; In acetone; for 144h;

Reference yield: 96.0%

Togni's reagent (887144-97-0) + 1-isopropenyl-4-nitro-benzene (1830-68-8) → 2,2,2-trifluoroethanol (75-89-8) + 2,2,2-Trifluoroacetaldehyde (75-90-1) + (4-nitrophenyl)ethanone (100-19-6)

Guidance literature:

With oxygen; C₁₄H₁₆Br₂NO₅V; In acetone; for 144h;

Reference yield: 95.0%

1-isopropenyl-4-methoxybenzene (1712-69-2) → 2,2,2-trifluoroethanol (75-89-8) + 2,2,2-Trifluoroacetaldehyde (75-90-1) + 1-(4-methoxyphenyl)ethanone (100-06-1)

Guidance literature:

With Togni's reagent; C₁₄H₁₆Br₂NO₅V; In acetone; for 84h;

upstream raw materials:

trifluoracetyl chloride

1,1,1-trifluoropropane

trifluoroacetonitrile

trifluoroacetic acid

Downstream raw materials:

2,2,2-trifluoro-1-methoxy-ethanol

ethyl trifluoroacetaldehyde hemiacetal

1,1,1-trifluoroisopropanol

α-trifluoromethyl-β-phenylethanol

Refernces

• 1、 Ramachandran, P. Veeraraghavan,Padiya, Kamlesh J.,Reddy, M. Venkat Ram,Brown, Herbert C.. "An efficient enantioselective total synthesis of a trifluoromethyl analog of blastmycinolactol". . p. 579 - 583. Retrieved 2004.
• 2、 Waters, Tom,O'Hair, Richard A. J.,Wedd, Anthony G.. "Catalytic gas phase oxidation of methanol to formaldehyde". . p. 3384 - 3396. Retrieved 2003.
• 3、 Wallington,Hurley. "Kinetic study of the reaction of chlorine and fluorine atoms with CF3CHO at 295 ± 2 K". . p. 819 - 824. Retrieved 1993.
• 4、 -. "Method for oxidative cracking of compound containing unsaturated double bonds". Paragraph 0108-0120; 0173-0175; 0194-0196. . Retrieved 2021/07/09.
• 5、 Ann, Jihyae,Bahrenberg, Gregor,Blumberg, Peter M.,Choi, Sun,Christoph, Thomas,Do, Nayeon,Frank-Foltyn, Robert,Ha, Heejin,Jeong, Jin Ju,Kang, Jin Mi,Kim, Changhoon,Kwon, Sun Ok,Lee, Jeewoo,Lee, Sunho,Lesch, Bernhard,Stockhausen, Hannelore,Vu, Thi Ngoc Lan,Yoon, Sanghee. "2-(Halogenated Phenyl) acetamides and propanamides as potent TRPV1 antagonists". . . Retrieved 2021/07/28.