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About This Item
Empirical Formula (Hill Notation):
C12H15NO2
CAS Number:
Molecular Weight:
205.25
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352005
MDL number:
InChI
1S/C12H15NO2/c1-12(2)10(13-11(14)15-12)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,13,14)/t10-/m1/s1
SMILES string
CC1(C)OC(=O)N[C@@H]1Cc2ccccc2
InChI key
AEEGFEJKONZGOH-SNVBAGLBSA-N
assay
98%
optical activity
[α]20/D +96°, c = 2 in chloroform
optical purity
ee: 99% (HPLC)
mp
60-62 °C (lit.)
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
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
Regulatory Information
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Davies, S.G. Sanganee, H.J.
Tetrahedron Asymmetry, 6, 671-671 (1995)
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