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Merck
CN

804584

(S,R)-Bode Kinetic Resolution Catalyst

Synonym(s):

(4aS,9aR)-6-Bromo-4-hydroxy-4,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3(2H)-one

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About This Item

Empirical Formula (Hill Notation):
C11H10BrNO3
CAS Number:
1417826-81-3
Molecular Weight:
284.11
UNSPSC Code:
12352101
PubChem Substance ID:
329768884
NACRES:
NA.22

Key Documents

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SMILES string

O=C(CO1)N(O)[C@]2([H])[C@@]1([H])CC3=CC=C(Br)C=C32

InChI

1S/C11H10BrNO3/c12-7-2-1-6-3-9-11(8(6)4-7)13(15)10(14)5-16-9/h1-2,4,9,11,15H,3,5H2/t9-,11+/m1/s1

InChI key

FQXSUQCCAHKURK-KOLCDFICSA-N

form

solution

functional group

bromo, ether

storage temp.

15-25°C

Application

The following organocatalyst is used in the kinetic resolution of cyclic amines as reported by Bode and coworkers. In tandem with acylating reagent, (1E)-4-Hydroxy-1-mesityl-4-methylpent-1-en-3-one, either enantiomer can be accessed by using the catalyst shown or its enantiomer, both of which are available from Sigma-Aldrich.

Other Notes

Expanded substrate scope and catalyst optimization for the catalytic kinetic resolution of N-heterocycles

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Bode Group – Prof. Product Portal

Bode Group creates N-mesityl-NHC catalysts for enantioselective annulations and SnAP reagents for one-pot aldehyde conversion into N-heterocycles.

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