764650-97-7

Basic information

• Product Name: (2S)-3,3-Dimethyl-2-[[[[(1R,2R)-2-(2-methyl-5-phenyl-1H-pyrrol-1-yl)cyclohexyl]amino]thioxomethyl]amino]-N,N-bis(2-methylpropyl)butanamide
• Synonyms: (2S)-3,3-Dimethyl-2-[[(1R,2R)-2-(2-methyl-5-phenyl-1-pyrrolyl)cyclohexyl]thioureido]-N,N-bis(2-isobutyl)butanamide;(2S)-3,3-Dimethyl-2-[[[[(1R,2R)-2-(2-methyl-5-phenyl-1H-pyrrol-1-yl)cyclohexyl]amino]thioxomethyl]amino]-N,N-bis(2-methylpropyl)butanamide;(2S)-3,3-Dimethyl-2-[[(1R,2R)-2-(2-methyl-5-phenyl-1-pyrrolyl)cyclohexyl]thioureido]-N,N-bis(2-isobutyl)butanamide 97%
• CAS NO: 764650-97-7
• Molecular Formula: C32H50N4OS
• Molecular Weight: 538.83
• Mol File: 764650-97-7.mol
• Article Data: 2

Chemical Properties

• Melting Point: 143-147 °C
• Boiling Point: 641.9±65.0 °C(Predicted)
• Appearance: /
• Density: 1.08±0.1 g/cm3(Predicted)
• PKA: 12.74±0.40(Predicted)
• CAS DataBase Reference: (2S)-3,3-Dimethyl-2-[[[[(1R,2R)-2-(2-methyl-5-phenyl-1H-pyrrol-1-yl)cyclohexyl]amino]thioxomethyl]amino]-N,N-bis(2-methylpropyl)butanamide(CAS DataBase Reference)
• NIST Chemistry Reference: (2S)-3,3-Dimethyl-2-[[[[(1R,2R)-2-(2-methyl-5-phenyl-1H-pyrrol-1-yl)cyclohexyl]amino]thioxomethyl]amino]-N,N-bis(2-methylpropyl)butanamide(764650-97-7)
• EPA Substance Registry System: (2S)-3,3-Dimethyl-2-[[[[(1R,2R)-2-(2-methyl-5-phenyl-1H-pyrrol-1-yl)cyclohexyl]amino]thioxomethyl]amino]-N,N-bis(2-methylpropyl)butanamide(764650-97-7)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37
• WGK Germany: 3
• Hazardous Substances Data: 764650-97-7(Hazardous Substances Data)

Usage

Uses

Catalyst for acyl-Pictet-Spengler and acyl-Mannich reactions.

Upstream product

• 110-96-3 diisobutylamine 
• 20439-47-8 (1R,2R)-1,2-diaminocyclohexane 
• 62965-35-9 N-tert-butyloxycarbonyl-L-tert-leucine 
• 583-05-1 1-phenylpentane-1,4-dione 
• 919113-10-3 (S)-N,N-diisobutyl-2-isothiocyanato-3,3-dimethylbutanamide 
• 764650-92-2 (1R,2R)-2-(2-methyl-5-phenyl-1H-pyrrol-1-yl)cyclohexanamine 

Relevant articles and documents

Enantioselective thiourea-catalyzed acyl-Mannich reactions of isoquinolines

(Chemical Equation Presented) Inexpensive aromatic feedstocks are substrates for highly enantioselective acylative Mannich reactions catalyzed by a thiourea chiral hydrogen-bond donor 1. This methodology provides access to useful 1-substituted dihydroisoq