structure of 1-(Tert-butoxycarbonyl)-4,4-difluoropyrrolidine-2-carboxylic acid

1-(Tert-butoxycarbonyl)-4,4-difluoropyrrolidine-2-carboxylic acid

CAS No.: 1000313-01-8
M. Wt: 251.22700
M. Fa: C10H15F2NO4
InChI Key: WTMZYKCXBXPVPT-UHFFFAOYSA-N
Appearance: Off-White To Light Yellow Solid

Names and Identifiers of 1000313-01-8

CAS Number

1000313-01-8

EC Number

825-217-5

MDL Number

MFCD22121409

IUPAC Name

4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

InChI

InChI=1S/C10H15F2NO4/c1-9(2,3)17-8(16)13-5-10(11,12)4-6(13)7(14)15/h6H,4-5H2,1-3H3,(H,14,15)

InChIKey

WTMZYKCXBXPVPT-UHFFFAOYSA-N

Canonical SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)O)(F)F

UNSPSC Code

12352100

Physical and chemical properties of 1000313-01-8

Exact Mass

251.09700

LogP

1.65360

Melting Point

114°C

Molecular Formula

C10H15F2NO4

Molecular Weight

251.22700

PSA

66.84000

Storage condition

2-8°C

Safety Information of 1000313-01-8

Pictograms

Signal Word

 Warning

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

Applications of 1000313-01-8

1-(Tert-butoxycarbonyl)-4,4-difluoropyrrolidine-2-carboxylic acid is utilized in various fields:

  • Pharmaceuticals: It serves as an intermediate in the synthesis of bioactive compounds and pharmaceuticals.
  • Agrochemicals: The compound may be used in developing herbicides or pesticides due to its biological activity.
  • Chemical Research: It acts as a building block for synthesizing more complex molecules in organic chemistry research.

Biological Activity of 1000313-01-8

Research indicates that 1-(tert-butoxycarbonyl)-4,4-difluoropyrrolidine-2-carboxylic acid exhibits biological activity that may include:

  • Antimicrobial Properties: Some derivatives of fluorinated amino acids have shown potential antimicrobial effects.
  • Inhibition of Enzymatic Activity: The structure may interact with enzymes involved in metabolic pathways, potentially serving as an inhibitor.
  • Neuroprotective Effects: Preliminary studies suggest that related compounds could have neuroprotective properties, although specific data on this compound is limited.

Physical sample testing spectrum (NMR) of 1000313-01-8

Physical sample testing spectrum (NMR) of 1000313-01-8

Retrosynthesis analysis of 1000313-01-8

  • Route#1

    Cas:203866-17-5
    Cas:1000313-01-8

  • Route#2

    Cas:647857-74-7
    Cas:1000313-01-8