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Merck
CN

694509

3,3-Difluoropyrrolidine hydrochloride

97%

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About This Item

Empirical Formula (Hill Notation):
C4H7F2N · HCl
CAS Number:
Molecular Weight:
143.56
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
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Product Name

3,3-Difluoropyrrolidine hydrochloride, 97%

InChI

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

SMILES string

Cl.FC1(F)CCNC1

InChI key

YYVPZQADFREIFR-UHFFFAOYSA-N

assay

97%

form

solid

mp

133-136 °C

functional group

fluoro

Quality Level

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

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves


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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)
Snahel Patel et al.
Journal of medicinal chemistry, 58(1), 401-418 (2014-10-24)
Dual leucine zipper kinase (DLK, MAP3K12) was recently identified as an essential regulator of neuronal degeneration in multiple contexts. Here we describe the generation of potent and selective DLK inhibitors starting from a high-throughput screening hit. Using proposed hinge-binding interactions

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