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About This Item
Empirical Formula (Hill Notation):
C11H18FNO4
CAS Number:
Molecular Weight:
247.26
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352005
MDL number:
Assay:
97%
Form:
powder
InChI
1S/C11H18FNO4/c1-11(2,3)17-10(15)13-6-7(12)5-8(13)9(14)16-4/h7-8H,5-6H2,1-4H3/t7-,8+/m1/s1
SMILES string
COC(=O)[C@@H]1C[C@@H](F)CN1C(=O)OC(C)(C)C
InChI key
METPQQHVRNLTRX-SFYZADRCSA-N
assay
97%
form
powder
optical activity
[α]22/D -80.0°, c = 1 in methanol
mp
34-39 °C
functional group
ester, fluoro
storage temp.
2-8°C
Quality Level
Application
N-Boc-trans-4-fluoro-L-proline methyl ester can be used as a substrate in the preparation of pyrrolidinine-thioxotetrahydropyrimidinone based catalysts, which find application in asymmetric organic reactions.
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
>230.0 °F
flash_point_c
> 110 °C
ppe
Eyeshields, Gloves, type N95 (US)
Regulatory Information
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4-Fluoro and 4-hydroxy pyrrolidine-thioxotetrahydropyrimidinones: Organocatalysts for green asymmetric transformations in brine
Kaplaneris N, et al.
The Journal of Organic Chemistry, 80(11), 5464-5473 (2015)
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