439118-51-1

Basic information

• Product Name: (2-CYANO-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTER
• Synonyms: (2-CYANO-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTER;tert-Butyl N-[(2-cyanophenyl)Methyl]carbaMate;tert-Butyl 2-cyanobenzylcarbaMate
• CAS NO: 439118-51-1
• Molecular Formula: C₁₃H₁₆N₂O₂
• Molecular Weight: 232.28
• Mol File: 439118-51-1.mol
• Article Data: 5

Chemical Properties

• Appearance: /
• CAS DataBase Reference: (2-CYANO-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: (2-CYANO-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTER(439118-51-1)
• EPA Substance Registry System: (2-CYANO-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTER(439118-51-1)

Safety Data

• Hazardous Substances Data: 439118-51-1(Hazardous Substances Data)

Usage

General Description

(2-CYANO-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTER is a chemical compound that belongs to the group of carbamic acid esters. It is a crystalline solid with a molecular formula of C12H15N3O2 and a molecular weight of 233.27 g/mol. (2-CYANO-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTER is commonly used in organic synthesis as a reagent and intermediate in the production of pharmaceuticals, agrochemicals, and other fine chemicals. It is also utilized in the research and development of new chemical compounds due to its versatile chemical properties. Additionally, it is important to handle this chemical with care and follow proper safety protocols when working with it.

Upstream product

• 24424-99-5 di-tert-butyl dicarbonate 
• 40508-03-0 2-(azidomethyl)benzonitrile 
• 7772-99-8 stannous chloride 
• 22115-41-9 2-(bromomethyl)benzonitrile 
• 344957-25-1 2-(aminomethyl)benzonitrile 

Downstream Products

• 40508-03-0 2-(azidomethyl)benzonitrile 
• 449759-25-5 [2-(2-methyl-2H-tetrazol-5-yl)benzyl]carbamic acid tert-butyl ester 
• 449758-21-8 [2-(1-methyl-1H-tetrazol-5-yl)benzyl]carbamic acid tert-butyl ester 
• 449758-20-7 [2-(1H-tetrazol-5-yl)benzyl]carbamic acid tert-butyl ester 
• 439116-13-9 tert-butyl N-[[2-(aminomethyl)phenyl]methyl]carbamate 

Relevant articles and documents

COMPOUNDS

Disclosed are compounds of the formula (I) and pharmaceutically acceptable salts thereof: (I) wherein R1, R2, R3, R4, R5, R6, R8, R9, X, X1, X2, X3, L1 and n are as defined herein. The compounds are inhibitors of adrenomedullin receptor subtype 2 (AM2). Also disclosed are the compounds for use in the treatment of diseases modulated AM2, including proliferative diseases such as cancer; pharmaceutical compositions comprising the compounds; methods for preparing the compounds;and intermediates useful in the preparation of the compounds.

Discovery and evaluation of potent P1 aryl heterocycle-based thrombin inhibitors

In an effort to discover potent, clinically useful thrombin inhibitors, a rapid analogue synthetic approach was used to explore the P1 region. Various benzylamines were coupled to a pyridine/pyrazinone P2-P 3 template. One compound with an o-thiadiazole benzylic substitution was found to have a thrombin Ki of 0.84 nM. A study of ortho-substituted five-membered-ring heterocycles was undertaken and subsequently demonstrated that the o-triazole and tetrazole rings were optimal. Combination of these potent P1 aryl heterocycles with a variety of P2-P3 groups produced a compound with an extraordinary thrombin inhibitory activity of 1.4 pM. It is hoped that this potency enhancement in P1 will allow for more diversification in the P 2-P3 region to ultimately address additional pharmacological concerns.

Thrombin inhibitors

Compounds of the invention are useful in inhibiting thrombin and treating blood coagulation and cardiovascular disorders and have the following structure: wherein R3 is hydrogen or halogen, and u is N or CH.