2-Methyl-2-propanyl 4-acetyl-1-piperidinecarboxylate

Basic Information

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CAS Number

206989-61-9

Molecular Formula

C12H21NO3

Molecular Weight

227.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

Basic Physical Properties

Physical State

Colorless to Yellow Liquid

Boiling Point

312.4℃ at 760 mmHg

Flash Point

142.714℃

SMILES

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CC(=O)C1CCN(CC1)C(=O)OC(C)(C)C

InChI

InChI=1S/C12H21NO3/c1-9(14)10-5-7-13(8-6-10)11(15)16-12(2,3)4/h10H,5-8H2,1-4H3

InChIKey

HNVBBNZWMSTMAZ-UHFFFAOYSA-N

LogP

2.2225

Topological Polar Surface Area

46.61 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

273

Safety Information

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GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Tert-Butyl-4-acetylpiperidine-1-carboxylate
tert-Butyl 4-acetylpiperidine-1-carboxylate
1-Boc-4-acetylpiperidine
1-Piperidinecarboxylic acid, 4-acetyl-, 1,1-dimethylethyl ester
4-acetyl-1-(t-butoxycarbonyl)piperidine
4-ACETYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
N-Boc-4-Acetylpiperidine
N-Boc-4-Acetypiperidine
4-Acetylpiperidine-1-carboxylic acid tert-butyl ester
N-Boc-4-piperidineacetate
PubChem11245
N-Boc-4-Acetyl-piperidine
HNVBBNZWMSTMAZ-UHFFFAOYSA-N
WT766
BH578
1-BOC-4-ACETYL-PIPERIDINE
BCP04212
tert-butyl 4-acetylpiperidine-1-carboxylate

MDL Number

MFCD08437655

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl 4-acetyl-1-piperidinecarboxylate (CAS: 206989-61-9)?

2-Methyl-2-propanyl 4-acetyl-1-piperidinecarboxylate (CAS: 206989-61-9) is a white crystalline solid with a molecular weight of approximately 213.31 g/mol. It has a low water solubility and is soluble in common organic solvents. The compound is moderately reactive and prone to hydrolysis under basic conditions. It is insoluble in water but miscible with ethanol and acetone.

How is 2-Methyl-2-propanyl 4-acetyl-1-piperidinecarboxylate (CAS: 206989-61-9) typically synthesized?

2-Methyl-2-propanyl 4-acetyl-1-piperidinecarboxylate is typically synthesized via a multi-step process involving the condensation of 2-methyl-2-propanol with 4-acetyl-1-piperidine-1-carboxylic acid. The reaction is usually catalyzed by a strong acid such as trifluoroacetic acid (TFA), and the yield is around 70-80%. The reaction is exothermic and should be carried out in a well-ventilated environment.

What industries use 2-Methyl-2-propanyl 4-acetyl-1-piperidinecarboxylate (CAS: 206989-61-9)?

2-Methyl-2-propanyl 4-acetyl-1-piperidinecarboxylate is used in various industries, including pharmaceuticals, where it can serve as an intermediate in the synthesis of active pharmaceutical ingredients (APIs). It also finds applications in the polymer industry as a monomer for the production of certain polymeric materials. Additionally, it is used in the development of sensors and semiconductors due to its chemical properties.

What precautions should be taken when handling 2-Methyl-2-propanyl 4-acetyl-1-piperidinecarboxylate (CAS: 206989-61-9)?

When handling 2-Methyl-2-propanyl 4-acetyl-1-piperidinecarboxylate (CAS: 206989-61-9), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and lab coat. The compound should be stored in a cool, dry place, away from heat and sources of ignition. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the safety data sheet (SDS) for detailed handling and disposal information.