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717061

Sigma-Aldrich

4,4-Difluoro-L-prolinamide hydrochloride

97%

Synonym(s):

(S)-4,4-Difluoropyrolidine-2-carboxamide hydrochloride

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About This Item

Empirical Formula (Hill Notation):
C5H9ClF2N2O
CAS Number:
426844-51-1
Molecular Weight:
186.59
MDL number:
MFCD06797014
UNSPSC Code:
12352005
PubChem Substance ID:
329763452
NACRES:
NA.22

Quality Level

100

assay

97%

form

solid

optical activity

[α]/D −23±5°, c = 0.5 in H2O

SMILES string

Cl.NC(=O)[C@@H]1CC(F)(F)CN1

InChI

1S/C5H8F2N2O.ClH/c6-5(7)1-3(4(8)10)9-2-5;/h3,9H,1-2H2,(H2,8,10);1H/t3-;/m0./s1

InChI key

RRQDQYAEZGKHOB-DFWYDOINSA-N

Related Categories

Application

4,4-Difluoro-L-prolinamide hydrochloride can be used as a building block in the synthesis of cyanopyrrolidine based DPP-IV inhibitors.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Certificates of Analysis (COA)

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Synthesis and structure-activity relationships of potent 3-or 4-substituted-2-cyanopyrrolidine dipeptidyl peptidase IV inhibitors
Fukushima H, et al.
Bioorganic & Medicinal Chemistry, 12(23), 6053-6061 (2004)

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