68222-59-3

Basic information

• Product Name: N-[(benzyloxy)carbonyl]-3-methylvaline
• Synonyms: N-[(Benzyloxy)carbonyl]-3-methylvaline; valine, 3-methyl-N-[(phenylmethoxy)carbonyl]-
• CAS NO: 68222-59-3
• Molecular Formula: C₁₄H₁₉NO₄
• Molecular Weight: 265.305
• Mol File: 68222-59-3.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 436.4°C at 760 mmHg
• Flash Point: 217.7°C
• Density: 1.16g/cm³
• Vapor Pressure: 2.19E-08mmHg at 25°C
• Refractive Index: 1.528
• CAS DataBase Reference: N-[(benzyloxy)carbonyl]-3-methylvaline(CAS DataBase Reference)
• NIST Chemistry Reference: N-[(benzyloxy)carbonyl]-3-methylvaline(68222-59-3)
• EPA Substance Registry System: N-[(benzyloxy)carbonyl]-3-methylvaline(68222-59-3)

Safety Data

• Hazardous Substances Data: 68222-59-3(Hazardous Substances Data)

Usage

Description

N-[(Benzyloxy)carbonyl]-3-methylvaline is a chemical compound that serves as a reactant in the synthesis of diazabicycloheptyl amino acid derivatives. These derivatives are known for their antagonistic properties towards the transient receptor potential channel TRPV4.

Uses

Used in Pharmaceutical Industry:
N-[(Benzyloxy)carbonyl]-3-methylvaline is used as a reactant for the preparation of diazabicycloheptyl amino acid derivatives, which act as TRPV4 antagonists. These antagonists are valuable in the development of therapeutic agents targeting the TRPV4 channel, which is implicated in various physiological and pathological processes, including pain sensation, inflammation, and certain cardiovascular and kidney diseases. By modulating the activity of the TRPV4 channel, these antagonists can potentially offer novel treatment options for a range of conditions.

Upstream product

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Downstream Products

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• 68319-58-4 [1-(1,3-Dicyclohexyl-ureidocarbonyl)-2,2-dimethyl-propyl]-carbamic acid benzyl ester 
• 672310-03-1 (2,2-Dimethyl-1-pyrrolidin-1-ylmethyl-propyl)-methyl-amine 
• 136328-88-6 2-(3,4-Dichloro-phenyl)-N-(2,2-dimethyl-1-pyrrolidin-1-ylmethyl-propyl)-N-methyl-acetamide 
• 115199-96-7 2-(3,4-Dichloro-phenyl)-N-(2,2-dimethyl-1-pyrrolidin-1-ylmethyl-propyl)-N-methyl-acetamide; hydrochloride 
• 20859-02-3 L-tert-Leucine 
• 26782-71-8 D-tert-leucine 
• 854689-16-0 salt of (R)-benzyloxycarbonylamino-tert-leucine and (R)-3-amino-3-phenylpropionic acid ethyl ester 

Relevant articles and documents

PROCESS FOR PRODUCTION OF N-ALKOXYCARBONYL-tert-LEUCINES

A high quality N-alcoxycarbonyl-tert leucine can be efficiently and stably produced with an easy procedure by reacting tert-leucine with an N-alcoxycarbonylating agent in the presence of water, wherein the use amount of the N-alcoxycarbonylating agent is not less than 0.90 times by mole and not more than 1.00 times by mole relative to the tert-leucine, with maintaining the pH of the reaction mixture in the range of not less than 9 and not more than 13 using a basic agent. In addition, an N-alcoxycarbonyl-tert-leucine can be efficiently extracted from the basic aqueous solution thereof under a mild condition using a water-immiscible solvent by mixing a hydroxide. Furthermore, the two crystal forms of N-butoxycarbonyl-tert-leucine can be controlled by adjusting the water amount in crystallization step, and the compound can be stably produced in an industrial production.