tert-Butyl 4-(prop-2-yn-1-yl)piperazine-1-carboxylate

Basic Information

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CAS Number

199538-99-3

Molecular Formula

C12H20N2O2

Molecular Weight

224.3 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 Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

292.8°C at 760 mmHg

SMILES

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

InChI

InChI=1S/C12H20N2O2/c1-5-6-13-7-9-14(10-8-13)11(15)16-12(2,3)4/h1H,6-10H2,2-4H3

InChIKey

OAXARSVKYJPDPA-UHFFFAOYSA-N

Complexity

290

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

tert-Butyl 4-(prop-2-yn-1-yl)piperazine-1-carboxylate
4-Prop-2-ynyl-piperazine-1-carboxylic acid tert-butyl ester
tert-butyl 4-prop-2-ynylpiperazine-1-carboxylate
1,1-dimethylethyl 4-(2-propyn-1-yl)-1-piperazinecarboxylate
1-Piperazinecarboxylic acid, 4-(2-propynyl)-, 1,1-dimethylethyl ester
4-(2-propynyl)-1-piperazinecarboxylic acid tert-buty
AB17386
CTK0A0059
tert-Butyl 4-(prop-2-ynyl)piperazine-1-carboxylate
tert-butyl 4-propargylpiperazine-1-carboxylate
1-Boc-4-(2-propyn-1-yl)piperazine
1-Boc-4-(2-propynyl)piperazine
AT25959
SCHEMBL113614
4-Prop-2-ynyl-piperazine1-carboxylic acid tert-butyl ester
DA-17456
1-(tert-Butoxycarbonyl)-4-(2-propynyl)piperazine
1-Piperazinecarboxylic acid, 4-(2-propyn-1-yl)-, 1,1-dimethylethyl ester
ZHA53899
t-butyl 4-(prop-2-yn-1-yl)piperazine-1-carboxylate
DTXSID10461269
4-propargylpiperazine-1-carboxylic acid tert-butyl ester
199538-99-3
Z645823022
CS-0127762
SY217953
AKOS010190914
4-PROP-2-YNYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-(2-propynyl)-1-piperazinecarboxylic acid tert-butyl ester
B5206
EN300-311641

MDL Number

MFCD04039721

FAQ

What are the physical and chemical properties of tert-Butyl 4-(prop-2-yn-1-yl)piperazine-1-carboxylate (CAS: 199538-99-3)?

t-Butyl 4-(prop-2-yn-1-yl)piperazine-1-carboxylate is a crystalline solid with a molecular weight of approximately 285.36 g/mol. It is moderately soluble in common organic solvents like dichloromethane and ethanol. The compound is known for its reactivity, particularly towards nucleophiles and electrophiles. It shows good stability under neutral conditions but can undergo hydrolysis in acidic or basic media.

How is tert-Butyl 4-(prop-2-yn-1-yl)piperazine-1-carboxylate (CAS: 199538-99-3) typically synthesized?

t-Butyl 4-(prop-2-yn-1-yl)piperazine-1-carboxylate is typically synthesized through a multi-step process involving the coupling of tert-butyl 4-(hydroxyimino)-piperazine-1-carboxylate with propargyl bromide. The reaction is catalyzed by a base such as potassium carbonate in an aprotic solvent like N,N-dimethylformamide (DMF). The yield and selectivity can be optimized by adjusting reaction conditions and using phase transfer catalysts.

What industries use tert-Butyl 4-(prop-2-yn-1-yl)piperazine-1-carboxylate (CAS: 199538-99-3)?

t-Butyl 4-(prop-2-yn-1-yl)piperazine-1-carboxylate is used in the pharmaceutical industry for the synthesis of various drug molecules. It also finds applications in the polymer industry due to its reactive functional groups, which can be used for cross-linking and other polymer modifications. Additionally, it is utilized in the production of sensors and semiconductors for its unique chemical properties.

What precautions should be taken when handling tert-Butyl 4-(prop-2-yn-1-yl)piperazine-1-carboxylate (CAS: 199538-99-3)?

When handling tert-Butyl 4-(prop-2-yn-1-yl)piperazine-1-carboxylate, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to avoid inhalation of vapors. Spills should be cleaned up using an appropriate absorbent material, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.