693464
(S)-2-[3-[(1R,2R)-2-(Dipropylamino)cyclohexyl]thioureido]-N-isopropyl-3,3-dimethylbutanamide
95%
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About This Item
Empirical Formula (Hill Notation):
C22H44N4OS
CAS Number:
Molecular Weight:
412.68
UNSPSC Code:
12352116
PubChem Substance ID:
MDL number:
InChI
1S/C22H44N4OS/c1-8-14-26(15-9-2)18-13-11-10-12-17(18)24-21(28)25-19(22(5,6)7)20(27)23-16(3)4/h16-19H,8-15H2,1-7H3,(H,23,27)(H2,24,25,28)/t17-,18-,19-/m1/s1
SMILES string
CCCN(CCC)[C@@H]1CCCC[C@H]1NC(=S)N[C@H](C(=O)NC(C)C)C(C)(C)C
InChI key
XULQYZJFCNMXTM-GUDVDZBRSA-N
assay
95%
optical activity
[α]22/D -61°, c = 1 in chloroform
Application
Ketone silylcyanation catalyst
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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Douglas E Fuerst et al.
Journal of the American Chemical Society, 127(25), 8964-8965 (2005-06-23)
The new chiral amino thiourea catalyst 3d promotes the highly enantioselective cyanosilylation of a wide variety of ketones. The hindered tertiary amine substituent plays a crucial role with regard to both stereoinduction and reactivity, suggesting a cooperative mechanism involving electrophile
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