1425038-21-6

Basic information

• Product Name: (S)-3,3-Dimethyl-2-((1R,2R)-2-pent-4-ynyl-cyclopropoxycarbonylamino)-butyric acid, tert-butylamine salt
• Synonyms: (S)-3,3-Dimethyl-2-((1R,2R)-2-pent-4-ynyl-cyclopropoxycarbonylamino)-butyric acid, tert-butylamine salt;Alkyne Acid t-butylamine;3-Methyl-N-[[[(1R,2R)-2-(4-pentyn-1-yl)cyclopropyl]oxy]carbonyl]-L-valine compd. with 2-methyl-2-propanamine;(S)-3,3-Dimethyl-2-((((1R,2R)-2-(pent-4-yn-1-yl)cyclopropoxy)carbonyl)amino)butyric acid tert-butylamine salt;MK-5172 Intermediate 2;EOS-61020;L-Valine, 3-methyl-N-[[[(1R,2R)-2-(4-pentyn-1-yl)cyclopropyl]oxy]carbonyl]-, compd. with 2-methyl-2-propanamine (1:1)
• CAS NO: 1425038-21-6
• Molecular Formula: C19H34N2O4
• Molecular Weight: 354.48426
• EINECS: -0
• Mol File: 1425038-21-6.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: (S)-3,3-Dimethyl-2-((1R,2R)-2-pent-4-ynyl-cyclopropoxycarbonylamino)-butyric acid, tert-butylamine salt(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-3,3-Dimethyl-2-((1R,2R)-2-pent-4-ynyl-cyclopropoxycarbonylamino)-butyric acid, tert-butylamine salt(1425038-21-6)
• EPA Substance Registry System: (S)-3,3-Dimethyl-2-((1R,2R)-2-pent-4-ynyl-cyclopropoxycarbonylamino)-butyric acid, tert-butylamine salt(1425038-21-6)

Safety Data

• Hazardous Substances Data: 1425038-21-6(Hazardous Substances Data)

Usage

Description

(S)-3,3-Dimethyl-2-((1R,2R)-2-pent-4-ynyl-cyclopropoxycarbonylamino)-butyric acid, tert-butylamine salt is a complex organic compound with a specific stereochemistry. It is characterized by its unique molecular structure, which includes a cyclopropane ring, a pent-4-yn-1-yl group, and a tert-butylamine salt moiety. (S)-3,3-Dimethyl-2-((1R,2R)-2-pent-4-ynyl-cyclopropoxycarbonylamino)-butyric acid, tert-butylamine salt is known for its antiviral properties and is used as an intermediate in the synthesis of Grazoprevir (M424985), a second-generation NS3/4A protease inhibitor.

Uses

Used in Pharmaceutical Industry:
(S)-3,3-Dimethyl-2-((1R,2R)-2-pent-4-ynyl-cyclopropoxycarbonylamino)-butyric acid, tert-butylamine salt is used as an intermediate in the synthesis of Grazoprevir, a second-generation NS3/4A protease inhibitor. It plays a crucial role in the development of antiviral medications, particularly those targeting COVID-19.
Used in Antiviral Applications:
(S)-3,3-Dimethyl-2-((1R,2R)-2-pent-4-ynyl-cyclopropoxycarbonylamino)-butyric acid, tert-butylamine salt is used as an antiviral agent, specifically in the development of Grazoprevir, which is a second-generation NS3/4A protease inhibitor. It is involved in COVID-19-related research, aiming to provide effective treatment options for the virus by inhibiting the replication of the virus within host cells.
Used in Research and Development:
(S)-3,3-Dimethyl-2-((1R,2R)-2-pent-4-ynyl-cyclopropoxycarbonylamino)-butyric acid, tert-butylamine salt is also utilized in research and development for the creation of new antiviral drugs and therapies. Its unique structure and properties make it a valuable compound for exploring novel approaches to combat viral infections, including COVID-19.

Upstream product

• 20859-02-3 L-tert-Leucine 
• 75-64-9 tert-butylamine 
• 1224174-07-5 (S)-1-chlorohept-6-en-2-ol 
• 1425038-19-2 (S)-3,3-dimethyl-2-(((1R,2R)-2-(pent-4-ynyl)cyclopropoxy)carbonylamino)butanoic acid 
• 1350619-77-0 (1R,2R)-2-(pent-4-yn-1-yl)cyclopropan-1-ol 

Downstream Products

• 1425038-23-8 methyl (1aR,5S,8S,10R,22aR)-5-tert-butyl-14-methoxy-3,6-dioxo-18,19-didehydro-1,1a,3,4,5,6,9,10,20,21,22,22a-dodecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3, 6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxylate 
• 1206524-84-6 methyl (1aR,5S,8S,10R,22aR)-5-tert-butyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxa-diazacyclononadecino[11,12-b]quinoxaline-8-carboxylate 
• 1206524-85-7 (1aR,5S,8S,10R,22aR)-5-tert-butyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradeca-hydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxylic acid hydrate 
• 1350514-68-9 grazoprevir 

Relevant articles and documents

Asymmetric Synthesis of Functionalized trans-Cyclopropoxy Building Block for Grazoprevir

A practical and asymmetric synthesis of a functionalized trans-cyclopropoxy building block for the preparation of the HCV NS3/4a protease inhibitor grazoprevir is reported. Intramolecular SN2 displacement-ring closure, followed by a Baeyer-Villiger oxidation, yields the desired trans-cyclopropanol with full control of diastereoselectivity. A terminal alkyne is then effectively installed using LiNH(CH2)2NEt2. Starting from (S)-epichlorohydrin, the cyclopropoxy building block is prepared in 51% overall yield with >99.8% optical purity without isolation of any intermediates.