147821-49-6

Basic information

• Product Name: [[2-ethyl-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy- phenyl]methylamino]methanethioic acid
• Synonyms: [[2-ethyl-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy- phenyl]methylamino]methanethioic acid
• CAS NO: 147821-49-6
• Molecular Formula: C₁₆H₂₃NO₆S
• Molecular Weight: 357.42
• Mol File: 147821-49-6.mol
• Article Data: 2

Chemical Properties

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: 1.356g/cm³
• Vapor Pressure: 2.62E-12mmHg at 25°C
• Refractive Index: 1.613
• PKA: 12.93±0.70(Predicted)
• CAS DataBase Reference: [[2-ethyl-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy- phenyl]methylamino]methanethioic acid(CAS DataBase Reference)
• NIST Chemistry Reference: [[2-ethyl-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy- phenyl]methylamino]methanethioic acid(147821-49-6)
• EPA Substance Registry System: [[2-ethyl-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy- phenyl]methylamino]methanethioic acid(147821-49-6)

Safety Data

• Hazardous Substances Data: 147821-49-6(Hazardous Substances Data)

Usage

Description

[[2-ethyl-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxyphenyl]methylamino]methanethioic acid is a complex organic compound characterized by its intricate molecular structure. It features an aromatic ring, an amino group, and a thioic acid group, along with an oxane ring and an ethyl group. The presence of a chiral center and multiple hydroxyl groups suggests its potential for hydrogen bonding and interactions with biological systems. Further experimental studies are necessary to fully understand its properties and possible applications.

Uses

Used in Pharmaceutical Industry:
[[2-ethyl-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxyphenyl]methylamino]methanethioic acid is used as a potential pharmaceutical candidate for various applications due to its ability to form hydrogen bonds and interact with biological systems. Its complex structure with multiple functional groups may allow it to modulate specific biological pathways or target certain receptors, making it a promising compound for drug development.
Used in Chemical Research:
In the field of chemical research, [[2-ethyl-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxyphenyl]methylamino]methanethioic acid can be used as a starting material or a building block for the synthesis of other complex organic molecules. Its unique structure and functional groups may enable the creation of novel compounds with specific properties and potential applications in various industries.
Used in Material Science:
[[2-ethyl-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxyphenyl]methylamino]methanethioic acid's structural features, including the aromatic ring and the thioic acid group, may provide it with unique physical or chemical properties that could be exploited in the development of new materials. [[2-ethyl-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxyphenyl]methylamino]methanethioic acid could be used as a component in the design of advanced materials for applications such as sensors, catalysts, or coatings.

InChI:InChI=1/C16H23NO6S/c1-3-21-16(24)17-8-10-4-6-11(7-5-10)23-15-14(20)13(19)12(18)9(2)22-15/h4-7,9,12-15,18-20H,3,8H2,1-2H3,(H,17,24)

Upstream product

• 147821-50-9 N-ethoxythiocarbonyl-4-(2',3',4'-tri-O-acetyl-α-L-rhamnopyranosyloxy)-benzylamine 
• 141-52-6 sodium ethanolate 
• 73255-40-0 4-(α-L-rhamnopyranosyloxy)benzyl isothiocyanate 
• 33148-47-9 4-allyloxy-benzonitrile 
• 767-00-0 4-cyanophenol 
• 113893-72-4 2,3,4-tri-O-acetyl-L-rhamnopyranosyl trichloroacetimidate 
• 75383-60-7 (4-hydroxy-benzyl)carbamic acid benzyl ester 
• 198898-38-3 N-ethoxythiocarbonyl-4-hydroxy-benzylamine 
• 83171-41-9 (4-(allyloxy)phenyl)methanamine 
• 219501-46-9 N-ethoxythiocarbonyl-4-allyloxy-benzylamine 
• 219501-50-5 N-benzyloxycarbonyl-4-allyloxy-benzylamine 
• 219501-53-8 N-benzyloxycarbonyl-4-(2',3',4'-tri-O-acetyl-α-L-rhamnopyranosyloxy)-benzylamine 

Downstream Products

• 147821-50-9 O-ethyl-4-<(2',3',4'-tri-O-acetyl-α-L-rhamnopyranosyloxy)benzyl>thiocarbamate (Z) 
• 147821-50-9 N-ethoxythiocarbonyl-4-(2',3',4'-tri-O-acetyl-α-L-rhamnopyranosyloxy)-benzylamine 

Relevant articles and documents

Synthesis of novel hypotensive aromatic thiocarbamate glycosides

Syntheses of hypotensive thiocarbamate glycosides from Moringa oleifera are described. The route involves, first, the condensation of the sugar moiety with p-hydroxybenzonitrile to give glycoside 2, then subsequent reduction of 2 to the glycosidic benzyla