structure of tert-Butyl (2-oxopiperidin-3-yl)carbamate

tert-Butyl (2-oxopiperidin-3-yl)carbamate

CAS No.: 99780-98-0
M. Wt: 214.26200
M. Fa: C10H18N2O3
InChI Key: SSBSATYPIISWFD-UHFFFAOYSA-N
Appearance: White Solid

Names and Identifiers of 99780-98-0

CAS Number

99780-98-0

EC Number

831-119-3

MDL Number

MFCD13190662

IUPAC Name

tert-butyl N-(2-oxopiperidin-3-yl)carbamate

InChI

InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-7-5-4-6-11-8(7)13/h7H,4-6H2,1-3H3,(H,11,13)(H,12,14)

InChIKey

SSBSATYPIISWFD-UHFFFAOYSA-N

Canonical SMILES

CC(C)(C)OC(=O)NC1CCCNC1=O

UNSPSC Code

12352100

Physical and chemical properties of 99780-98-0

Acidity coefficient

11.05±0.20(Predicted)

Boiling Point

405.6±34.0 °C(Predicted)

Density

1.11±0.1 g/cm3(Predicted)

Exact Mass

214.13200

LogP

1.27000

Molecular Formula

C10H18N2O3

Molecular Weight

214.26200

PSA

74.41000

Storage condition

2-8°C

Safety Information of 99780-98-0

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 99780-98-0

3-(Boc-amino)-2-piperidone serves several significant applications:

  • Pharmaceutical Intermediate: It is crucial in synthesizing various drugs, particularly those targeting metabolic diseases.
  • Chemical Research: Utilized in organic synthesis for developing novel compounds with potential therapeutic effects.
  • Material Science: Investigated for applications in polymer chemistry and material development due to its structural properties.

Biological Activity of 99780-98-0

The biological activity of 3-(Boc-amino)-2-piperidone is linked to its role as an intermediate in the synthesis of biologically active compounds. It has been reported to be involved in the development of pharmaceuticals targeting metabolic disorders, including diabetes. Specific studies indicate that derivatives of this compound exhibit potential pharmacological properties, although detailed biological assays are still required to fully elucidate its activity.

Physical sample testing spectrum (NMR) of 99780-98-0

Physical sample testing spectrum (NMR) of 99780-98-0

Retrosynthesis analysis of 99780-98-0

  • Route#1

    Cas:1892-22-4
    Cas:24424-99-5
    Cas:70-26-8
    Cas:99780-98-0
  • Route#2

    Cas:24424-99-5
    Cas:88763-76-2
    Cas:99780-98-0
  • Route#3

    Cas:1892-22-4
    Cas:24424-99-5
    Cas:99780-98-0