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About This Item
Empirical Formula (Hill Notation):
C13H19ClN2O
CAS Number:
Molecular Weight:
254.76
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352005
MDL number:
Quality Level
assay
97%
form
solid
optical activity
[α]20/D +67°, c = 1 in H2O
mp
157-161 °C
functional group
phenyl
SMILES string
Cl.CN1C(=O)[C@@H](Cc2ccccc2)NC1(C)C
InChI
1S/C13H18N2O.ClH/c1-13(2)14-11(12(16)15(13)3)9-10-7-5-4-6-8-10;/h4-8,11,14H,9H2,1-3H3;1H/t11-;/m1./s1
InChI key
YIYFEXGDFJLJGM-RFVHGSKJSA-N
Application
Used in first highly enantioselective organocatalytic Diels-Alder reaction and 1,3-dipolar addition.
Legal Information
U.S. Pat. 6,369,243 and related patents apply. For research purposes only.
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
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Articles
Discover Professor David MacMillan's groundbreaking metal-free asymmetric catalysis using imidazolidinone-based organocatalysts for versatile transformations.
Ahrendt, K. A. et al
Journal of the American Chemical Society, 122, 4243-4243 (2000)
Jen, W. S. et al
Journal of the American Chemical Society, 122, 9874-9874 (2000)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 663069-500MG | 04061833473900 |
| 663069-2G | 04061833549124 |
