959979-30-7

Basic information

• Product Name: (2S)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamide
• Synonyms: (2S)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamide;(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide;(R)-Ru(OAc)2(SEGPHOS(R));ButanaMide, 2-[[[[3,5-bis(trifluoroMethyl)phenyl]aMino]thioxoMethyl]aMino]-N,3,3-triMethyl-N-(phenylMethyl)-, (2S)-;(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide 97%;(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-Nbenzyl- N,3,3-trimethylbutanamide,99%e.e.;(2S)-N-benzyl-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-N,3,3-trimethylbutanamide
• CAS NO: 959979-30-7
• Molecular Formula: C₂₃H₂₅F₆N₃OS
• Molecular Weight: 505.5195192
• Mol File: 959979-30-7.mol

Chemical Properties

• Melting Point: 147-152 °C
• Boiling Point: 497.5±55.0 °C(Predicted)
• Appearance: /
• Density: 1.305±0.06 g/cm3(Predicted)
• PKA: 11.41±0.70(Predicted)
• CAS DataBase Reference: (2S)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamide(CAS DataBase Reference)
• NIST Chemistry Reference: (2S)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamide(959979-30-7)
• EPA Substance Registry System: (2S)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamide(959979-30-7)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37
• WGK Germany: 3
• Hazardous Substances Data: 959979-30-7(Hazardous Substances Data)

Usage

Uses

Versatile catalyst for reactions including the Mannich reaction.

General Description

(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide is a chiral thiourea organocatalyst developed by the Jacobsen′s group for asymmetric organic synthesis.

Upstream product

• 1032509-62-8 tert-butyl (S)-1-(N-benzyl-N-methylcarbamoyl)-2,2-dimethylpropylcarbamate 
• 23165-29-9 3,5-bistrifluoromethylphenylisothiocyanate 
• 62965-35-9 N-tert-butyloxycarbonyl-L-tert-leucine 
• 103-67-3 benzyl-methyl-amine 
• 947383-62-2 (S)-t-leucine N-benzyl-N-methyl-amide 

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