462632-54-8

Basic information

• Product Name: 3-[[[(1R,2R)-2-[[[[(1S)-1-[(Dimethylamino)carbonyl]-2,2-dimethylpropyl]amino]thioxomethyl]amino]cyclohexyl]imino]methyl]-5-(1,1-dimethylethyl)-4-hydroxyphenyl 2,2-dimethylpropanoate
• Synonyms: 3-[(E)-[[(1R,2R)-2-[[(1S)-1-[(Dimethylamino)carbonyl]-2,2-dimethylpropyl]thioureido]cyclohexyl]imino]methyl]-5-(tert-butyl)-4-hydroxyphenyl pivalate;3-[[[(1R,2R)-2-[[[[(1S)-1-[(Dimethylamino)carbonyl]-2,2-dimethylpropyl]amino]thioxomethyl]amino]cyclohexyl]imino]methyl]-5-(1,1-dimethylethyl)-4-hydroxyphenyl 2,2-dimethylpropanoate
• CAS NO: 462632-54-8
• Molecular Formula: C31H50N4O4S
• Molecular Weight: 574.82
• Mol File: 462632-54-8.mol

Chemical Properties

• Melting Point: 135-138 °C (D)
• Appearance: /
• CAS DataBase Reference: 3-[[[(1R,2R)-2-[[[[(1S)-1-[(Dimethylamino)carbonyl]-2,2-dimethylpropyl]amino]thioxomethyl]amino]cyclohexyl]imino]methyl]-5-(1,1-dimethylethyl)-4-hydroxyphenyl 2,2-dimethylpropanoate(CAS DataBase Reference)
• NIST Chemistry Reference: 3-[[[(1R,2R)-2-[[[[(1S)-1-[(Dimethylamino)carbonyl]-2,2-dimethylpropyl]amino]thioxomethyl]amino]cyclohexyl]imino]methyl]-5-(1,1-dimethylethyl)-4-hydroxyphenyl 2,2-dimethylpropanoate(462632-54-8)
• EPA Substance Registry System: 3-[[[(1R,2R)-2-[[[[(1S)-1-[(Dimethylamino)carbonyl]-2,2-dimethylpropyl]amino]thioxomethyl]amino]cyclohexyl]imino]methyl]-5-(1,1-dimethylethyl)-4-hydroxyphenyl 2,2-dimethylpropanoate(462632-54-8)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37
• Hazardous Substances Data: 462632-54-8(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
3-[[[(1R,2R)-2-[[[[[(1S)-1-[(Dimethylamino)carbonyl]-2,2-dimethylpropyl]amino]thioxomethyl]amino]cyclohexyl]imino]methyl]-5-(1,1-dimethylethyl)-4-hydroxyphenyl 2,2-dimethylpropanoate is used as a potential pharmaceutical candidate for various applications due to its structural complexity and diversity of functional groups.
Used in Chemical Synthesis:
3-[[[(1R,2R)-2-[[[[[(1S)-1-[(Dimethylamino)carbonyl]-2,2-dimethylpropyl]amino]thioxomethyl]amino]cyclohexyl]imino]methyl]-5-(1,1-dimethylethyl)-4-hydroxyphenyl 2,2-dimethylpropanoate is used as a building block or intermediate in chemical synthesis processes, taking advantage of its unique structural features and functional groups.
Further study and analysis are necessary to fully understand the chemical behavior and potential applications of 3-[[[(1R,2R)-2-[[[[[(1S)-1-[(Dimethylamino)carbonyl]-2,2-dimethylpropyl]amino]thioxomethyl]amino]cyclohexyl]imino]methyl]-5-(1,1-dimethylethyl)-4-hydroxyphenyl 2,2-dimethylpropanoate.

Upstream product

• 246509-53-5 2-hydroxy-5-pivaloyloxy-3-tert-butylbenzaldehyde 
• 462632-53-7 (S)-2-(3-((1R,2R)-2-aminocyclohexyl)thioureido)-N,N,3,3-tetramethylbutanamide 
• 62965-35-9 N-tert-butyloxycarbonyl-L-tert-leucine 
• 20439-47-8 (1R,2R)-1,2-diaminocyclohexane 

Relevant articles and documents

Structure-based analysis and optimization of a highly enantioselective catalyst for the strecker reaction

A mechanistic investigation of the asymmetric Strecker reaction catalyzed by a metal-free Schiff base catalyst was conducted. The active site of the catalyst, the relevant stereoisomer of the imine substrate, and the solution structure of the imine-catalyst complex were elucidated using a series of kinetics, structure-activity, and NMR experiments. An unusual bridging interaction between the imine and the urea hydrogens of the catalyst was identified and supported by computation. Rational optimization of catalyst structure based on the mechanistic insight led to an improved catalyst for the asymmetric Strecker reaction. Copyright