166104-19-4

Basic information

• Product Name: TERT-BUTYL 5-NITRO-1H-INDOLE-1-CARBOXYLATE
• Synonyms: TERT-BUTYL 5-NITRO-1H-INDOLE-1-CARBOXYLATE;5-Nitro-indole-1-carboxylic acid tert-butyl ester;1-BOC-5-nitro indole;tert-Butyl 5-nitroindole-1-carboxylate;1H-Indole-1-carboxylic acid, 5-nitro-, 1,1-diMethylethyl ester;1-Boc-5-nitro-1H-indole
• CAS NO: 166104-19-4
• Molecular Formula: C₁₃H₁₄N₂O₄
• Molecular Weight: 262.27
• Mol File: 166104-19-4.mol
• Article Data: 16

Chemical Properties

• Melting Point: 115℃
• Boiling Point: 395.281 °C at 760 mmHg
• Flash Point: 192.859 °C
• Appearance: /
• Density: 1.263 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.581
• Storage Temp.: 2-8°C
• CAS DataBase Reference: TERT-BUTYL 5-NITRO-1H-INDOLE-1-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: TERT-BUTYL 5-NITRO-1H-INDOLE-1-CARBOXYLATE(166104-19-4)
• EPA Substance Registry System: TERT-BUTYL 5-NITRO-1H-INDOLE-1-CARBOXYLATE(166104-19-4)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Hazardous Substances Data: 166104-19-4(Hazardous Substances Data)

Usage

General Description

Tert-Butyl 5-Nitro-1H-Indole-1-Carboxylate is a chemical compound that belongs to the class of organic compounds known as indoles. Indoles are compounds containing an indole moiety, which consists of a cyclopentene ring fused to a benzene ring. In Tert-Butyl 5-Nitro-1H-Indole-1-Carboxylate, the indole group is further substituted with a tert-butyl group, a nitro group, and a carboxylate group. This chemical compound is used in various fields such as chemical research, pharmaceutical development, and other industrial applications. Its molecular structure and properties make it interesting for synthetic and analytical chemists. It is not naturally occurring and needs to be produced in a laboratory setting. Although it has important applications, care needs to be taken to handle it properly due to the potential risks associated with exposure to nitro compounds.

InChI:InChI=1/C13H14N2O4/c1-13(2,3)19-12(16)14-7-6-9-8-10(15(17)18)4-5-11(9)14/h4-8H,1-3H3

Upstream product

• 24424-99-5 di-tert-butyl dicarbonate 
• 6146-52-7 5-nitroindole 

Downstream Products

• 129487-92-9 tert-butyl 5-amino-2,3-dihydro-1H-indole-1-carboxylate 
• 1266338-28-6 N-(1-(2-chloro-4-fluorobenzoyl)-1H-indol-5-yl)picolinamide 
• 1266338-29-7 N-(1-(2-methoxybenzoyl)-1H-indol-5-yl)picolinamide 
• 1448607-77-9 5-benzoylamino-4-bromoindole-1-carboxylic acid tert-butyl ester 
• 1350890-84-4 5-(benzoyl-tert-butoxycarbonylamino)-4-bromo-indole-1-carboxylic acid tert-butyl ester 
• 495-48-7 azoxybenzene 
• 1058739-51-7 tert-butyl 5-(3,5-dichloro-phenylsulphonylamino)-2,3-dihydro-indole-1-carboxylate 
• 1058740-18-3 C₁₄H₁₂Cl₂N₂O₂S 
• 5192-03-0 5-amino-1H-indole 
• 6146-52-7 5-nitroindole 

Relevant articles and documents

Calculated oxidation potentials predict reactivity in Baeyer-Mills reactions

Azobenzenes are widely used as dyes and photochromic compounds, with the Baeyer-Mills reaction serving as the most common method for their preparation. This transformation is often plagued by low yields due to the formation of undesired azoxybenzene. Here, we explore electronic effects dictating the formation of the azoxybenzene side-product. Using calculated oxidation potentials, we were able to predict reaction outcomes and improve reaction efficiency simply by modulating the oxidation potential of the arylamine component.

ARYL-PHOSPHORUS-OXYGEN COMPOUND AS EGFR KINASE INHIBITOR

Disclosed is a class of new aryl-phosphorus-oxygen compounds as shown in formula (I) as EGFR kinase inhibitors, and pharmaceutically acceptable salts thereof.

LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS

The present application describes lactam-containing compounds and derivatives thereof of Formula I: P4—P-M-M4??I or pharmaceutically acceptable salt forms thereof, wherein ring P, if present is a 5-7 membered carbocycle or heterocycle and ring M is a 5-7 membered carbocycle or heterocycle. Compounds of the present invention are useful as inhibitors of trypsin-like serine proteases, specifically factor Xa.