3-IODO-5-NITRO-1H-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

Base Information

• Chemical Name: 3-IODO-5-NITRO-1H-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
• CAS No.: 459133-69-8
• Molecular Formula: C₁₂H₁₂IN₃O₄
• Molecular Weight: 389.149
• Hs Code.: 2933998090
• Mol file: 459133-69-8.mol

Synonyms:1-Boc-3-Iodo-5-nitro-1H-indazole;3-Iodo-5-nitro-indazole-1-carboxylic acid tert-butyl ester;tert-butyl 3-iodo-5-nitro-1H-indazole-1-carboxylate;

Chemical Property of 3-IODO-5-NITRO-1H-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 471.774oC at 760 mmHg
• Flash Point: 239.121oC
• PSA: 89.94000
• Density: 1.82g/cm3
• LogP: 3.85550
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

3-Iodo-5-nitro-1h-indazole-1-carboxylicAcidTert-butylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-IODO-5-NITRO-1H-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

There total 3 articles about 3-IODO-5-NITRO-1H-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL 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%

di-tert-butyl dicarbonate (24424-99-5) + 3-iodo-5-nitro-1H-indazole (70315-69-4) → tert-butyl 3-iodo-5-nitro-1H-indazole-1-carboxylate (459133-69-8)

Guidance literature:

With triethylamine; Sonication;

DOI:10.3390/molecules23082051

Reference yield:

5-nitroindazole (5401-94-5) → tert-butyl 3-iodo-5-nitro-1H-indazole-1-carboxylate (459133-69-8)

Guidance literature:

Multi-step reaction with 2 steps

1: iodine; potassium hydroxide / N,N-dimethyl-formamide / 2.5 h / 0 - 20 °C

2: dmap; triethylamine / N,N-dimethyl-formamide / 1 h / 0 - 20 °C

With dmap; iodine; triethylamine; potassium hydroxide; In N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2011.01.035

Reference yield:

tert-butyldicarbonate (34619-03-9) + 3-iodo-5-nitro-1H-indazole (70315-69-4) → tert-butyl 3-iodo-5-nitro-1H-indazole-1-carboxylate (459133-69-8)

Guidance literature:

With dmap; triethylamine; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 1h;

DOI:10.1016/j.bmcl.2011.01.035

upstream raw materials:

di-tert-butyl dicarbonate

3-iodo-5-nitro-1H-indazole

tert-butyldicarbonate

5-nitroindazole

Downstream raw materials:

C₂₃H₂₄N₄O

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