1H-INDOLE-1-CARBOXYLIC ACID,2,3-DIHYDRO-6-NITRO-,1,1-DIMETHYLETHYL ESTER

Base Information

• Chemical Name: 1H-INDOLE-1-CARBOXYLIC ACID,2,3-DIHYDRO-6-NITRO-,1,1-DIMETHYLETHYL ESTER
• CAS No.: 129487-99-6
• Molecular Formula: C13H16N2O4
• Molecular Weight: 264.27700
• Hs Code.: 2933990090
• Mol file: 129487-99-6.mol

Synonyms:1-Boc-6-nitroindoline;tert-butyl 6-nitroindoline-1-carboxylate;6-nitro-2,3-dihydroindole-1-carboxylic acid tert-butyl ester;

Chemical Property of 1H-INDOLE-1-CARBOXYLIC ACID,2,3-DIHYDRO-6-NITRO-,1,1-DIMETHYLETHYL ESTER

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 380.342oC at 760 mmHg
• Flash Point: 183.825oC
• PSA: 75.36000
• Density: 1.267g/cm3
• LogP: 3.48060
• Storage Temp.: 2-8°C

Purity/Quality:

NLT 98% ^*data from raw suppliers

tert-Butyl6-Nitroindoline-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-INDOLE-1-CARBOXYLIC ACID,2,3-DIHYDRO-6-NITRO-,1,1-DIMETHYLETHYL ESTER

There total 3 articles about 1H-INDOLE-1-CARBOXYLIC ACID,2,3-DIHYDRO-6-NITRO-,1,1-DIMETHYLETHYL ESTER which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 78.0%

6-nitroindoline (19727-83-4) + di-tert-butyl dicarbonate (24424-99-5) → tert-butyl 6-nitroindoline-1-carboxylate (129487-99-6)

Guidance literature:

With pyridine; dmap; In dichloromethane;

Reference yield:

iron(III) chloride + 6-nitroindoline (19727-83-4) + di-tert-butyl dicarbonate (24424-99-5) → tert-butyl 6-nitroindoline-1-carboxylate (129487-99-6)

Guidance literature:

With triethylamine; In dichloromethane; at 25 ℃; for 16h;

Reference yield:

1-indoline (496-15-1) → tert-butyl 6-nitroindoline-1-carboxylate (129487-99-6)

Guidance literature:

Multi-step reaction with 2 steps

1: nitric acid; sulfuric acid / 0 - 20 °C

2: triethylamine / dichloromethane / 12 h / 0 - 20 °C / Inert atmosphere

With sulfuric acid; nitric acid; triethylamine; In dichloromethane;

DOI:10.1002/chem.201800078

upstream raw materials:

6-nitroindoline

di-tert-butyl dicarbonate

1-indoline

Downstream raw materials:

6-amino-2,3-dihydroindole-1-carboxylic acid tert-butyl ester

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