tert-butyl 6-nitro-1H-indole-1-carboxylate

Base Information

• Chemical Name: tert-butyl 6-nitro-1H-indole-1-carboxylate
• CAS No.: 219552-64-4
• Molecular Formula: C13H14N2O4
• Molecular Weight: 262.26
• Hs Code.: 2933990090
• Mol file: 219552-64-4.mol

Synonyms:tert-Butyl 6-nitro-1H-indole-1-carboxylate;6-Nitro-indole-1-carboxylic acid t-butyl ester;WT752;1-Boc-6-nitroindole;

Chemical Property of tert-butyl 6-nitro-1H-indole-1-carboxylate

Chemical Property:

• Boiling Point: 395.3±34.0 °C(Predicted)
• PSA: 77.05000
• Density: 1.26±0.1 g/cm3(Predicted)
• LogP: 3.85590
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl6-Nitro-1H-indole-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of tert-butyl 6-nitro-1H-indole-1-carboxylate

There total 4 articles about tert-butyl 6-nitro-1H-indole-1-carboxylate 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: 66.0%

indole-1-carboxylic acid tert-butyl ester (75400-67-8) → tert-butyl 3-nitro-1H-indole-1-carboxylate (198135-71-6) + tert-butyl 6-nitro-1H-indole-1-carboxylate (219552-64-4)

Guidance literature:

With nitric acid; acetic anhydride; at -70 ℃; for 1h;

DOI:10.1055/s-1999-3512

Reference yield: 60.0%

6-nitroindole (4769-96-4) + di-tert-butyl dicarbonate (24424-99-5) → tert-butyl 6-nitro-1H-indole-1-carboxylate (219552-64-4)

Guidance literature:

With dmap; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2007.09.091

Reference yield:

6-nitroindole (4769-96-4) → tert-butyl 6-nitro-1H-indole-1-carboxylate (219552-64-4)

Guidance literature:

upstream raw materials:

indole-1-carboxylic acid tert-butyl ester

6-nitroindole

di-tert-butyl dicarbonate

Downstream raw materials:

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

tert-butyl 6-amino-1H-indole-1-carboxylate

1-(3-cyano-4-fluorophenyl)-5-{[6-(2-oxo-hexahydro-1H-azepin-1-yl)-2,3-dihydro-1H-indol-1-yl]carbonyl}-1H-pyrazole-3-carboxamide