1H-INDAZOLE-1-CARBOXYLIC ACID,3-IODO-6-NITRO-,1,1-DIMETHYLETHYL ESTER

Base Information

• Chemical Name: 1H-INDAZOLE-1-CARBOXYLIC ACID,3-IODO-6-NITRO-,1,1-DIMETHYLETHYL ESTER
• CAS No.: 586330-18-9
• Molecular Formula: C12H12IN3O4
• Molecular Weight: 389.149
• Mol file: 586330-18-9.mol

Synonyms:3-Iodo-6-nitro-indazole-1-carboxylic acid tert-Butyl ester;QC-8555;tert-Butyl 3-iodo-6-nitro-1H-indazole-1-carboxylate;

Chemical Property of 1H-INDAZOLE-1-CARBOXYLIC ACID,3-IODO-6-NITRO-,1,1-DIMETHYLETHYL ESTER

Chemical Property:

• Boiling Point: 471.8±48.0 °C(Predicted)
• PKA: -5.48±0.50(Predicted)
• PSA: 89.94000
• Density: 1.81±0.1 g/cm3(Predicted)
• LogP: 3.85550

Purity/Quality:

98%min ^*data from raw suppliers

tert-Butyl3-iodo-6-nitro-1H-indazole-1-carboxylate 95+% ^*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-IODO-6-NITRO-,1,1-DIMETHYLETHYL ESTER

There total 3 articles about 1H-INDAZOLE-1-CARBOXYLIC ACID,3-IODO-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: 82.0%

3-iodo-6-nitro-1H-indazole (70315-70-7) + di-tert-butyl dicarbonate (24424-99-5) → tert-butyl 3-iodo-6-nitro-1H-indazole-1-carboxylate (586330-18-9)

Guidance literature:

With dmap; triethylamine; In methanol; acetonitrile;

DOI:10.1016/j.bmcl.2005.06.083

Reference yield:

3-iodo-6-nitro-1H-indazole (70315-70-7) + tert-butyldicarbonate (34619-03-9) → tert-butyl 3-iodo-6-nitro-1H-indazole-1-carboxylate (586330-18-9)

Guidance literature:

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

DOI:10.1016/j.bmcl.2011.01.035

Reference yield:

6-nitroindazole (7597-18-4) → tert-butyl 3-iodo-6-nitro-1H-indazole-1-carboxylate (586330-18-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 78 percent / I₂; KOH / dimethylformamide

2: 82 percent / DMAP; Et₃N / acetonitrile; methanol

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

DOI:10.1016/j.bmcl.2005.06.083

upstream raw materials:

3-iodo-6-nitro-1H-indazole

di-tert-butyl dicarbonate

6-nitroindazole

tert-butyldicarbonate

Downstream raw materials:

6-nitro-3-phenyl-indazole-1-carboxylic acid tert-butyl ester

6-amino-3-phenyl-indazole-1-carboxylic acid tert-butyl ester

3-phenyl-6-phenylamino-indazole-1-carboxylic acid tert-butyl ester

6-(2-chloro-phenylamino)-3-phenyl-indazole-1-carboxylic acid tert-butyl ester

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