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About This Item
Empirical Formula (Hill Notation):
C9H9NO2
CAS Number:
Molecular Weight:
163.17
PubChem Substance ID:
UNSPSC Code:
12352000
Beilstein/REAXYS Number:
131918
MDL number:
grade
puriss.
assay
≥99.0% (sum of enantiomers, GC)
optical activity
[α]20/D +49±2°, c = 2% in chloroform stab. with amylenes
mp
129-132 °C
SMILES string
O=C1N[C@H](CO1)c2ccccc2
InChI
1S/C9H9NO2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)/t8-/m1/s1
InChI key
QDMNNMIOWVJVLY-MRVPVSSYSA-N
Other Notes
Chiral auxiliary used for the enantioselective synthesis of β-lactams; Used as recyclable derivatizing agent for the chromatographic resolution of primary amines via allophanates
Storage Class
13 - Non Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
Regulatory Information
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D.A. Evans et al.
Tetrahedron Letters, 26, 3783-3783 (1985)
Tetrahedron Letters, 26, 3787-3787 (1985)
W.H. Pirkle et al.
The Journal of Organic Chemistry, 48, 2520-2520 (1983)
I. Ojima et al.
Journal of the American Chemical Society, 110, 278-278 (1988)
C.C. Bodurow et al.
Tetrahedron Letters, 30, 2321-2321 (1989)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| PHR3494-1ML | 04065265958691 |
| 02577-1ML | 04061838617835 |
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