2-Methyl-2-propanyl 4-(2,2,2-trifluoroethyl)-1-piperazinecarboxylate

Basic Information

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CAS Number

692058-21-2

Molecular Formula

C11H19F3N2O2

Molecular Weight

268.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Basic Physical Properties

SMILES

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CC(C)(C)OC(=O)N1CCN(CC(F)(F)F)CC1

InChI

InChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-6-4-15(5-7-16)8-11(12,13)14/h4-8H2,1-3H3

InChIKey

YCMAOUJIMAOLCO-UHFFFAOYSA-N

LogP

2.1014

Topological Polar Surface Area

32.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

292

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Tert-butyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate
1-Boc-4-(2,2,2-trifluoroethyl)piperazine
YCMAOUJIMAOLCO-UHFFFAOYSA-N
AK194543
t-Butyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate
4-(2,2,2-trifluoro-ethyl)-piperazine-1-carboxylic acid tert-butyl ester

MDL Number

MFCD15530339

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl 4-(2,2,2-trifluoroethyl)-1-piperazinecarboxylate (CAS: 692058-21-2)?

2-Methyl-2-propanyl 4-(2,2,2-trifluoroethyl)-1-piperazinecarboxylate is a white or off-white crystalline solid with a molecular weight of approximately 325.5 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. The compound is moderately reactive, particularly in basic conditions, and is stable under normal storage conditions but should be kept away from strong acids and oxidizers. It is commonly used as an intermediate in organic synthesis and pharmaceuticals.

How is 2-Methyl-2-propanyl 4-(2,2,2-trifluoroethyl)-1-piperazinecarboxylate (CAS: 692058-21-2) typically synthesized?

2-Methyl-2-propanyl 4-(2,2,2-trifluoroethyl)-1-piperazinecarboxylate is typically synthesized through a multi-step process involving protection of a primary amine, followed by introduction of the trifluoroethyl group. The synthesis is catalyzed by common reagents such as diisopropylcarbamoyl chloride and can achieve high yields (up to 90%). The process is generally carried out under mild conditions and requires careful handling to prevent side reactions.

What industries use 2-Methyl-2-propanyl 4-(2,2,2-trifluoroethyl)-1-piperazinecarboxylate (CAS: 692058-21-2)?

2-Methyl-2-propanyl 4-(2,2,2-trifluoroethyl)-1-piperazinecarboxylate is primarily used in the pharmaceutical and chemical industries. It serves as an intermediate in the synthesis of various drugs and is also utilized in polymer science for functionalizing materials. The compound's unique properties make it valuable for producing sensors and semiconductors, contributing to the development of advanced materials and technologies.

What precautions should be taken when handling 2-Methyl-2-propanyl 4-(2,2,2-trifluoroethyl)-1-piperazinecarboxylate (CAS: 692058-21-2)?

When handling 2-Methyl-2-propanyl 4-(2,2,2-trifluoroethyl)-1-piperazinecarboxylate, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be immediately contained and cleaned up using appropriate absorbents, and any waste should be disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.