tert-Butyl 3-oxo-2-phenylpiperidine-1-carboxylate | CAS No. 148701-78-4

tert-Butyl 3-oxo-2-phenylpiperidine-1-carboxylate

Basic Information

CAS Number

148701-78-4

Molecular Formula

C16H21NO3

Molecular Weight

275.34 g/mol

AD

Basic Physical Properties

O=C1CCCN(C1c1ccccc1)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H21NO3/c1-16(2,3)20-15(19)17-11-7-10-13(18)14(17)12-8-5-4-6-9-12/h4-6,8-9,14H,7,10-11H2,1-3H3

InChIKey

GUERJXXMFLJFMZ-UHFFFAOYSA-N

LogP

3.327700000000002

Topological Polar Surface Area

46.61 Ų

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

366

Synonyms & References

English

  • tert-Butyl 3-oxo-2-phenylpiperidine-1-carboxylate
  • 3-Oxo-2-phenyl-piperidine-1-carboxylic acid tert-butyl ester
  • 4582AJ
  • SB33757
  • 1-t-butoxycarbonyl-2-phenylpiperidin-3-one
  • 1-t-butoxycarbonyl-2-phenyl-piperidin-3-one
  • (+/-)1-tert-butoxycarbonyl-2-phenylpiperidin-3-one
  • (+/-) 1-tert-Butoxycarbonyl-2-phenylpiperidin-3-one
  • 2-Phenyl-3-oxopiperidine-1-carboxylic acid tert-butyl ester
  • 3-Oxo-2-phenyl-piperidine-1-carboxylic acid t-butyl ester

MDL Number

MFCD11520574

FAQ

What are the physical and chemical properties of tert-Butyl 3-oxo-2-phenylpiperidine-1-carboxylate (CAS: 148701-78-4)?

tert-Butyl 3-oxo-2-phenylpiperidine-1-carboxylate is a white crystalline solid with a molecular weight of 296.37 g/mol. It is slightly soluble in water but more soluble in organic solvents like dichloromethane and acetonitrile. This compound is relatively stable under normal conditions but may react with strong bases or acids. It has a melting point of 85-88°C.

How is tert-Butyl 3-oxo-2-phenylpiperidine-1-carboxylate (CAS: 148701-78-4) typically synthesized?

tert-Butyl 3-oxo-2-phenylpiperidine-1-carboxylate is typically synthesized via an amide coupling reaction between tert-butyl piperidine-1-carboxylate and 2-phenylmaleimide. The process involves the use of a base like triethylamine and is often performed at room temperature. The overall yield is moderate to good, around 70-80%, depending on the reaction conditions.

What industries use tert-Butyl 3-oxo-2-phenylpiperidine-1-carboxylate (CAS: 148701-78-4)?

tert-Butyl 3-oxo-2-phenylpiperidine-1-carboxylate finds applications in the pharmaceutical industry as a precursor for the synthesis of various bioactive compounds. It is also used in the polymer industry for the production of functionalized polymers and in the sensor industry for developing sensors with specific reactivity to certain analytes.

What precautions should be taken when handling tert-Butyl 3-oxo-2-phenylpiperidine-1-carboxylate (CAS: 148701-78-4)?

When handling tert-Butyl 3-oxo-2-phenylpiperidine-1-carboxylate, it is important to wear appropriate personal protective equipment such as gloves, goggles, and a lab coat. Work should be carried out under a fume hood to minimize exposure. Spills should be cleaned up carefully using appropriate absorbent materials. In case of skin contact, wash with soap and water. Refer to the Safety Data Sheet (SDS) for detailed handling and storage information.

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