structure of 3-(tert-Butoxycarbonylamino)pyrrolidine

3-(tert-Butoxycarbonylamino)pyrrolidine

CAS No.: 99724-19-3
M. Wt: 186.251
M. Fa: C9H18N2O2
InChI Key: DQQJBEAXSOOCPG-UHFFFAOYSA-N
Appearance: Pale-yellow Solid

Names and Identifiers of 3-(tert-Butoxycarbonylamino)pyrrolidine

CAS Number

99724-19-3

EC Number

639-392-9

MDL Number

MFCD00059040

IUPAC Name

tert-butyl N-pyrrolidin-3-ylcarbamate

InChI

InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-7-4-5-10-6-7/h7,10H,4-6H2,1-3H3,(H,11,12)

InChIKey

DQQJBEAXSOOCPG-UHFFFAOYSA-N

Canonical SMILES

CC(C)(C)OC(=O)NC1CCNC1

UNSPSC Code

12352100

Physical and chemical properties of 3-(tert-Butoxycarbonylamino)pyrrolidine

Acidity coefficient

12.37±0.20(Predicted)

Boiling Point

286.4±29.0 °C at 760 mmHg

Density

1.0±0.1 g/cm3

Exact Mass

186.136826

Flash Point

127.0±24.3 °C

Index of Refraction

1.480

LogP

0.93

Melting Point

67ºC

Molecular Formula

C9H18N2O2

Molecular Weight

186.251

PSA

50.36000

Sensitivity

Air Sensitive

Solubility

Soluble in Methanol(almost transparency).

Storage condition

2-8°C

Vapour Pressure

0.0±0.6 mmHg at 25°C

Safety Information of 3-(tert-Butoxycarbonylamino)pyrrolidine

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 3-(tert-Butoxycarbonylamino)pyrrolidine

3-(tert-Butoxycarbonylamino)pyrrolidine has several applications:

  • Pharmaceutical Intermediate: It serves as a crucial intermediate in the synthesis of various pharmaceutical compounds, particularly those requiring amino functionalities.
  • Building Block for Complex Molecules: The compound is utilized as a building block for synthesizing complex organic molecules, including those with biological activity.
  • Protecting Group in Organic Synthesis: Its role as a protecting group allows chemists to selectively modify other functional groups without interference from the amino group.

Interaction Studies of 3-(tert-Butoxycarbonylamino)pyrrolidine

Interaction studies involving 3-(tert-Butoxycarbonylamino)pyrrolidine primarily focus on its derivatives and their interactions with biological targets. Research indicates that certain derivatives interact effectively with enzymes and receptors, demonstrating potential therapeutic effects. These studies often assess binding affinities and inhibition rates to evaluate the efficacy of these compounds in drug development.

Biological Activity of 3-(tert-Butoxycarbonylamino)pyrrolidine

The biological activity of 3-(tert-Butoxycarbonylamino)pyrrolidine has been explored primarily through its derivatives. Certain derivatives have shown potential as inhibitors against various biological targets, including:

  • EGFR Tyrosine Kinase: Some derivatives exhibit inhibitory activity against epidermal growth factor receptor (EGFR) tyrosine kinase, which is crucial in cancer therapies.
  • Bacterial Cell Division Inhibitors: Compounds derived from 3-(tert-Butoxycarbonylamino)pyrrolidine have been identified as potent inhibitors of bacterial cell division, indicating its potential in antibiotic development.

Physical sample testing spectrum (NMR) of 3-(tert-Butoxycarbonylamino)pyrrolidine

Physical sample testing spectrum (NMR) of 3-(tert-Butoxycarbonylamino)pyrrolidine

Retrosynthesis analysis of 3-(tert-Butoxycarbonylamino)pyrrolidine

  • Route#1

    Cas:99735-30-5
    Cas:99724-19-3
  • Route#2

    Cas:24424-99-5
    Cas:79286-79-6
    Cas:99724-19-3
  • Route#3

    Cas:24424-99-5
    Cas:99724-19-3