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693464

Sigma-Aldrich

(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
MDL number:
MFCD10000899
UNSPSC Code:
12352116
PubChem Substance ID:
329761593

Assay

95%

optical activity

[α]22/D -61°, c = 1 in chloroform

SMILES string

CCCN(CCC)[C@@H]1CCCC[C@H]1NC(=S)N[C@H](C(=O)NC(C)C)C(C)(C)C

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

InChI key

XULQYZJFCNMXTM-GUDVDZBRSA-N

Application

Ketone silylcyanation catalyst[1]

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Precautionary Statements

P261 - P305 + P351 + P338

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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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