1H-INDAZOLE-1-CARBOXYLIC ACID,3-BROMO-5-NITRO-,1,1-DIMETHYLETHYL ESTER

Base Information

• Chemical Name: 1H-INDAZOLE-1-CARBOXYLIC ACID,3-BROMO-5-NITRO-,1,1-DIMETHYLETHYL ESTER
• CAS No.: 473416-22-7
• Molecular Formula: C12H12BrN3O4
• Molecular Weight: 342.149
• Hs Code.: 2933990090
• Mol file: 473416-22-7.mol

Synonyms:1-Boc-3-bromo-5-nitro-1H-indazole;tert-Butyl 3-bromo-5-nitro-1H-indazole-1-carboxylate;1H-INDAZOLE-1-CARBOXYLIC ACID,3-BROMO-5-NITRO-,1,1-DIMETHYLETHYL ESTER;

Chemical Property of 1H-INDAZOLE-1-CARBOXYLIC ACID,3-BROMO-5-NITRO-,1,1-DIMETHYLETHYL ESTER

Chemical Property:

• PSA: 89.94000
• LogP: 4.01340

Purity/Quality:

97% ^*data from raw suppliers

1-Boc-3-bromo-5-nitro-1h-indazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-INDAZOLE-1-CARBOXYLIC ACID,3-BROMO-5-NITRO-,1,1-DIMETHYLETHYL ESTER

There total 2 articles about 1H-INDAZOLE-1-CARBOXYLIC ACID,3-BROMO-5-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: 100.0%

3-bromo-5-nitro-1H-indazole (67400-25-3) + di-tert-butyl dicarbonate (24424-99-5) → tert-butyl 3-bromo-5-nitro-1H-indazole-1-carboxylate (473416-22-7)

Guidance literature:

In N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2018.04.063

Reference yield:

5-nitroindazole (5401-94-5) → tert-butyl 3-bromo-5-nitro-1H-indazole-1-carboxylate (473416-22-7)

Guidance literature:

Multi-step reaction with 2 steps

1: bromine / methanol

2: N,N-dimethyl-formamide

With bromine; In methanol; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2018.04.063

Reference yield: 80.0%

tert-butyl 3-bromo-5-nitro-1H-indazole-1-carboxylate (473416-22-7) + 4-fluoroboronic acid (1765-93-1) → C18H16FN3O4

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium phosphate; In 1,4-dioxane; water;

DOI:10.1016/j.bmcl.2018.04.063

upstream raw materials:

3-bromo-5-nitro-1H-indazole

di-tert-butyl dicarbonate

5-nitroindazole

Downstream raw materials:

(S)-N-(3-(4-fluorophenyl)-1H-indazol-5-yl)-3-(methylthio)-1-(2-oxo-2-(4-(4-(pyrimidin-2-yl)phenyl)-3,6-dihydropyridin-1(2H)-yl)ethyl)pyrrolidine-3-carboxamide

C₁₉H₁₉FN₄OS

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