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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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

694509-250MG:
694509-1G:
694509-BULK:
694509-VAR:

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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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