structure of 1-Boc-5,5-dimethyl-3-piperidone

1-Boc-5,5-dimethyl-3-piperidone

CAS No.: 1000894-83-6
M. Wt: 227.30000
M. Fa: C12H21NO3
InChI Key: XIVWTYQQVHHCFB-UHFFFAOYSA-N

Names and Identifiers of 1-Boc-5,5-dimethyl-3-piperidone

CAS Number

1000894-83-6

EC Number

863-108-4

MDL Number

MFCD23106045

IUPAC Name

tert-butyl 3,3-dimethyl-5-oxopiperidine-1-carboxylate

InChI

InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-7-9(14)6-12(4,5)8-13/h6-8H2,1-5H3

InChIKey

XIVWTYQQVHHCFB-UHFFFAOYSA-N

Canonical SMILES

CC1(CC(=O)CN(C1)C(=O)OC(C)(C)C)C

UNSPSC Code

12352100

Physical and chemical properties of 1-Boc-5,5-dimethyl-3-piperidone

Exact Mass

227.15200

LogP

2.16040

Molecular Formula

C12H21NO3

Molecular Weight

227.30000

PSA

46.61000

Safety Information of 1-Boc-5,5-dimethyl-3-piperidone

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1-Boc-5,5-dimethyl-3-piperidone

1-Boc-5,5-dimethyl-3-piperidone serves as a versatile intermediate in various applications:

  • Pharmaceuticals: It is used in the synthesis of drug candidates targeting various therapeutic areas.
  • Agrochemicals: The compound can be utilized in developing pesticides and herbicides.
  • Dyes and Pigments: Its chemical structure allows it to be employed in dye synthesis due to its reactivity with other organic compounds.

Retrosynthesis analysis of 1-Boc-5,5-dimethyl-3-piperidone

  • Route#1

    Cas:103201-79-2
    Cas:1000894-83-6