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694509

Sigma-Aldrich

3,3-Difluoropyrrolidine hydrochloride

97%

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About This Item

Empirical Formula (Hill Notation):
C4H7F2N · HCl
CAS Number:
163457-23-6
Molecular Weight:
143.56
MDL number:
MFCD03788948
UNSPSC Code:
12352100
PubChem Substance ID:
329761667
NACRES:
NA.22

Quality Level

100

Assay

97%

form

solid

mp

133-136 °C

functional group

fluoro

SMILES string

Cl.FC1(F)CCNC1

InChI

1S/C4H7F2N.ClH/c5-4(6)1-2-7-3-4;/h7H,1-3H2;1H

InChI key

YYVPZQADFREIFR-UHFFFAOYSA-N

Application

3,3-Difluoropyrrolidine hydrochloride can be used as a building block in the synthesis of:
  • Triazole substituted prolyl difluoropyrrolidines as potential inhibitors of dipeptidyl peptidase-4.
  • Dual leucine zipper kinase (DLK) inhibitors.

It can be also used as a reactant in the preparation of cyclic and acyclic β-aminofluoroalkenes via allylic amination using the Pd catalyst.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKBV4908V
MKBJ4986V
MKBH4567V
MKBF5521V
MKBD7702

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Design, Synthesis, Structure-Activity Relationships, and Docking Studies of 1-(?-1, 2, 3-Triazol Substituted Prolyl)-(S)-3, 3-Difluoropyrrolidines as a Novel Series of Potent and Selective Dipeptidyl Peptidase-4 Inhibitors
Zhang L, et al.
Chemical Biology & Drug Design, 81(2), 198-207 (2013)
Activation of Allylic C-F bonds: Palladium-Catalyzed Allylic Amination of 3, 3-Difluoropropenes
Pigeon X, et al.
Angewandte Chemie (International Edition in English), 49(6), 1123-1127 (2010)

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