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About This Item
Empirical Formula (Hill Notation):
C11H13NO2
CAS Number:
Molecular Weight:
191.23
UNSPSC Code:
12352005
PubChem Substance ID:
MDL number:
assay
98%
optical activity
[α]25/D −71°, c = 2 in chloroform
optical purity
ee: 99% (HPLC)
mp
151-156 °C (lit.)
SMILES string
CC1(C)OC(=O)N[C@@H]1c2ccccc2
InChI
1S/C11H13NO2/c1-11(2)9(12-10(13)14-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,12,13)/t9-/m1/s1
InChI key
HSQRCAULDOQKPF-SECBINFHSA-N
Application
Versatile chiral auxiliary for asymmetric synthesis used in diastereoselective Michael additions.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
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
Regulatory Information
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Davies, S.G. Sanganee, H.J.
Tetrahedron Asymmetry, 6, 671-671 (1995)
