376348-71-9

Basic information

• Product Name: (1S)-3-[3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-exo-8-azabicyclo[3.2.1]oct-8-yl]-1-phenyl-1-propanamine
• Synonyms: (1S)-3-[3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-exo-8-azabicyclo[3.2.1]oct-8-yl]-1-phenyl-1-propanamine
• CAS NO: 376348-71-9
• Molecular Formula: C₂₂H₃₃N₅
• Molecular Weight: 367.53092
• Product Categories: Amines;Aromatics;Chiral Reagents;Heterocycles;Intermediates;Amines, Aromatics, Chiral Reagents, Heterocycles, Intermediates
• Mol File: 376348-71-9.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 555.308°C at 760 mmHg
• Flash Point: 289.64°C
• Appearance: /
• Density: 1.234g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.654
• Storage Temp.: -20°C Freezer
• Solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• PKA: 10.33±0.40(Predicted)
• CAS DataBase Reference: (1S)-3-[3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-exo-8-azabicyclo[3.2.1]oct-8-yl]-1-phenyl-1-propanamine(CAS DataBase Reference)
• NIST Chemistry Reference: (1S)-3-[3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-exo-8-azabicyclo[3.2.1]oct-8-yl]-1-phenyl-1-propanamine(376348-71-9)
• EPA Substance Registry System: (1S)-3-[3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-exo-8-azabicyclo[3.2.1]oct-8-yl]-1-phenyl-1-propanamine(376348-71-9)

Safety Data

• Hazardous Substances Data: 376348-71-9(Hazardous Substances Data)

Usage

Description

(1S)-3-[3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-exo-8-azabicyclo[3.2.1]oct-8-yl]-1-phenyl-1-propanamine is a complex organic compound characterized by its unique molecular structure. It is a green solid (gum) with a specific stereochemistry, denoted by the (1S) configuration. (1S)-3-[3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-exo-8-azabicyclo[3.2.1]oct-8-yl]-1-phenyl-1-propanamine is useful in organic synthesis, indicating its potential role in the creation of various other chemical entities.

Uses

(1S)-3-[3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-exo-8-azabicyclo[3.2.1]oct-8-yl]-1-phenyl-1-propanamine is used as an intermediate in organic synthesis for the creation of other compounds.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, (1S)-3-[3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-exo-8-azabicyclo[3.2.1]oct-8-yl]-1-phenyl-1-propanamine is used as a building block for the development of new drugs. Its unique structure may contribute to the synthesis of molecules with specific therapeutic properties.
Used in Chemical Research:
(1S)-3-[3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-exo-8-azabicyclo[3.2.1]oct-8-yl]-1-phenyl-1-propanamine is also utilized in chemical research as a model for studying the properties and reactivity of similar complex organic molecules. It can provide insights into the behavior of related compounds and help in the design of new synthetic pathways.
Used in Material Science:
In material science, (1S)-3-[3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-exo-8-azabicyclo[3.2.1]oct-8-yl]-1-phenyl-1-propanamine may be explored for its potential applications in the development of new materials with specific properties, such as improved stability or reactivity.
Overall, (1S)-3-[3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-exo-8-azabicyclo[3.2.1]oct-8-yl]-1-phenyl-1-propanamine is a versatile compound with applications in various fields, including pharmaceuticals, chemical research, and material science. Its unique structure and properties make it a valuable asset in the development of new compounds and materials.

InChI:InChI=1/C22H33N5/c1-15(2)22-25-24-16(3)27(22)20-13-18-9-10-19(14-20)26(18)12-11-21(23)17-7-5-4-6-8-17/h4-8,15,18-21H,9-14,23H2,1-3H3/t18?,19?,20?,21-/m0/s1

Upstream product

• 190189-97-0 methyl (3S)-3-[(tert-butoxycarbonyl)amino]-3-phenylpropionate 
• 376348-80-0 benzyl (S)-3-((1R,3R,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropylcarbamate 
• 890043-61-5 (S)-2-(tert-butoxycarbonylaminophenylmethyl)malonic acid dibenzyl ester 
• 423165-08-6 exo-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane p-toluenesulfonate 
• 423165-13-3 exo-8-benzyl-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane 
• 376348-67-3 exo-N-(8-benzyl-8-azabicyclo[3.2.1]oct-3-yl)-2-methylpropanamide 
• 76272-34-9 8-Benzyl-1αH,5αH-nortropan-3-one Oxime 
• 28957-72-4 N-benzylnortropinone 
• 718611-17-7 S-(3-hydroxy-1-phenyl-propyl)-carbamic acid tert-butyl ester 
• 103365-47-5 (S)-3-(tert-butoxycarbonylamino)-3-phenylpropanoic acid 
• 614-19-7 (S)-3-amino-3-phenylpropanoic acid 
• 135865-78-0 tert-butyl (1S)-3-oxo-1-phenylpropylcarbamate 
• 37088-66-7 (3S)-methyl 3-amino-3-phenylpropanoate 
• 376348-70-8 tert-butyl (1S)-3-[3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-exo-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropylcarbamate 

Downstream Products

• 376348-65-1 maraviroc 

Relevant articles and documents

Asymmetric Mannich Reaction and Construction of Axially Chiral Sulfone-Containing Styrenes in One Pot from α-Amido Sulfones Based on the Waste-Reuse Strategy

A simultaneous asymmetric Mannich reaction and the construction of axially chiral sulfone-containing styrenes in one pot from α-amido sulfones based on the waste-reuse strategy was demonstrated. A series of chiral β-amino diesters and axially chiral sulfone-containing styrenes with various functional groups were synthesized in good to excellent yields and enantioselectivities under mild conditions. In addition, this protocol has been successfully applied to synthesize the anti-HIV drug Maraviroc and chiral trichloro derivatives.

Asymmetric synthesis of maraviroc (UK-427,857)

The asymmetric synthesis of Maraviroc (UK-427,857), a chemochine receptor 5 (CCR-5) receptor antagonist, based on an expeditious organocatalytic enantioselective assembly of the chiral βamino aldehyde key fragment is presented. The reactions were performed on a gram-scale and allow for the rapid construction of new Maraviroc analogues.