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Merck
CN

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:
1003922-03-9
Molecular Weight:
412.68
UNSPSC Code:
12352116
PubChem Substance ID:
329761593
MDL number:
MFCD10000899

Key Documents

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Product Name

(S)-2-[3-[(1R,2R)-2-(Dipropylamino)cyclohexyl]thioureido]-N-isopropyl-3,3-dimethylbutanamide, 95%

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

pictograms

Exclamation mark
GHS07

signalword

Warning

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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Certificates of Analysis (COA)

Lot/Batch Number
05611MH

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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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