1,1,1-Trifluoroacetone
1,1,1-Trifluoroacetone (CAS: 421-50-1), with the molecular formula CH3COCF3 and a molecular weight of 112.05 g/mol, is a fluorinated ketone. This compound serves as a crucial building block in organic synthesis. Its primary applications include the preparation of trifluoromethylated indoles and chiral trifluoromethyl alanines, making it valuable in pharmaceutical and fine chemical research and development.
- Synonyms
- 421-50-1CH3COCF3
Synthesis of 2-Trifluoromethyl-7-azaindoles
1,1,1-Trifluoroacetone is employed in the synthesis of 2-trifluoromethyl-7-azaindoles, starting from 2,6-dihalopyridines. This process is significant for developing novel heterocyclic compounds with potential pharmaceutical applications.
Preparation of Chiral Trifluoromethyl Alanines
The derived chiral imine from 1,1,1-Trifluoroacetone can be utilized in a Strecker reaction. Subsequent nitrile hydrolysis leads to enantiopure α-trifluoromethyl alanines, valuable chiral amino acid derivatives.
Synthesis of Chiral Trifluoromethyl Diamines
Following a Strecker reaction, the reduction of the derived nitrile intermediate can yield enantiopure α-trifluoromethyl diamines, expanding its utility in asymmetric synthesis and medicinal chemistry research.
| Molecular weight | 112.05 |
|---|---|
| Linear formula | CH3COCF3 |
| Assay | 97% |
| Boiling point | 22 °C(lit.) |
| Density | 1.252 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.3(lit.) |
| Vapour pressure | 13.62 psi (20 °C) |
| Storage temperature | 2-8°C |
| Application | Used in a synthesis of 2-trifluoromethyl-7-azaindoles starting with 2,6-dihalopyridines.1 The derived chiral imine was used to prepare enantiopure α-trifluoromethyl alanines and diamines via a Strecker reaction followed by either nitrile hydrolysis or reduction.2 |
Hazard statements
- H224Extremely flammable liquid and vapour
- H315Causes skin irritation
- H319Causes serious eye irritation
- H335May cause respiratory irritation
Precautionary statements
- P210Keep away from heat, sparks and open flames. No smoking
- P261Avoid breathing dust, fume, gas or vapours
- P305IF IN EYES
| Protective equipment | Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US) |
|---|---|
| Flash point | -30 °C / -22 °F |
| Transport (UN / ADR) | UN 1993A 3 / PGI |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | F+,Xi |
| Risk statements (R) | 12-36/37/38 |
| Safety statements (S) | 7/9-16-26-29-33-36 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is 1,1,1-Trifluoroacetone used for?
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1,1,1-Trifluoroacetone is used as a building block in organic synthesis, particularly for the preparation of 2-trifluoromethyl-7-azaindoles, chiral trifluoromethyl alanines, and chiral trifluoromethyl diamines.
What is the CAS number and formula for 1,1,1-Trifluoroacetone?
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The CAS number is 421-50-1, and the linear formula is CH3COCF3.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 1,1,1-Trifluoroacetone with an assay of 97%. We do not represent this product as USP, BP, EP, or pharmacopoeia grade.
How should 1,1,1-Trifluoroacetone be handled safely?
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1,1,1-Trifluoroacetone is highly flammable (H224) and an irritant (H315, H319, H335). Handle with appropriate personal protective equipment including eyeshields, faceshields, gloves, and use in a well-ventilated area or with respiratory protection. Store at 2-8°C.
How is 1,1,1-Trifluoroacetone packed and shipped?
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1,1,1-Trifluoroacetone is shipped according to its classification as a flammable liquid (UN 1993A 3 / PGI). Specific packaging details are available upon request, and TSS complies with all export regulations.
How can I request a quote or sample for 1,1,1-Trifluoroacetone?
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To request a quote or sample, please contact our sales team through the website or provide your contact details, and we will respond promptly.
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