1H-Indazole-1-carboxylic acid, 3-iodo-7-nitro-, 1,1-dimethylethyl ester

Base Information

• Chemical Name: 1H-Indazole-1-carboxylic acid, 3-iodo-7-nitro-, 1,1-dimethylethyl ester
• CAS No.: 874297-10-6
• Molecular Formula: C12H12IN3O4
• Molecular Weight: 389.14600
• Mol file: 874297-10-6.mol

Synonyms:1H-INDAZOLE-1-CARBOXYLIC ACID,3-IODO-7-NITRO-,1,1-DIMETHYLETHYL ESTER;

Chemical Property of 1H-Indazole-1-carboxylic acid, 3-iodo-7-nitro-, 1,1-dimethylethyl ester

Chemical Property:

• PSA: 89.94000
• LogP: 3.85550

Purity/Quality:

98% ^*data from raw suppliers

1H-INDAZOLE-1-CARBOXYLICACID,3-IODO-7-NITRO-,1,1-DIMETHYLETHYLESTER 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-7-nitro-, 1,1-dimethylethyl ester

There total 2 articles about 1H-Indazole-1-carboxylic acid, 3-iodo-7-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: 93.0%

3-iodo-7-nitro-1H-indazole (864724-64-1) + di-tert-butyl dicarbonate (24424-99-5) → 1-N-tert-butyl-oxycarbonyl-3-iodo-7-nitroindazole (874297-10-6)

Guidance literature:

With dmap; triethylamine; In dichloromethane; for 20h; Heating;

DOI:10.1016/j.bmc.2005.09.037

Reference yield:

7-Nitroindazole (2942-42-9) → 1-N-tert-butyl-oxycarbonyl-3-iodo-7-nitroindazole (874297-10-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / potassium hydroxide; iodine / dimethylformamide / 1 h / 20 °C

2: 93 percent / triethylamine; DMAP / CH₂Cl₂ / 20 h / Heating

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

DOI:10.1016/j.bmc.2005.09.037

Reference yield: 76.0%

1-N-tert-butyl-oxycarbonyl-3-iodo-7-nitroindazole (874297-10-6) + p-toluenesulfonyl chloride (98-59-9) → 1-toluenesulfonyl-3-iodo-7-nitroindazole

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In dichloromethane;

DOI:10.1016/j.bmc.2005.09.037

upstream raw materials:

3-iodo-7-nitro-1H-indazole

di-tert-butyl dicarbonate

7-Nitroindazole

Downstream raw materials:

3-(4-methoxyphenyl-1-yl)-7-nitro-1H-indazole

3‐(4‐methoxyphenyl)‐1‐methyl‐7‐nitro‐1H‐indazole

3-iodo-7-nitro-1-(4-methoxybenzyl)-1H-indazole

1-(4-methoxybenzyl)-3-(4-methoxyphenyl)-7-nitroindazole