5-broMo-3-iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole

Base Information

• Chemical Name: 5-broMo-3-iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
• CAS No.: 1380917-35-0
• Molecular Formula: C12H12BrIN2O
• Molecular Weight: 407.049
• Mol file: 1380917-35-0.mol

Synonyms:5-broMo-3-iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole

Chemical Property of 5-broMo-3-iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole

Chemical Property:

• Boiling Point: 472.7±45.0 °C(Predicted)
• PKA: -1.71±0.50(Predicted)
• PSA: 27.05000
• Density: 2.11±0.1 g/cm3(Predicted)
• LogP: 4.10250

Purity/Quality:

98%min ^*data from raw suppliers

5-Bromo-3-iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-broMo-3-iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole

There total 2 articles about 5-broMo-3-iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole 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: 98.0%

3,4-dihydro-2H-pyran (110-87-2) + 5-bromo-3-iodo-1H-indazole (459133-66-5) → 5-bromo-3-iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole (1380917-35-0)

Guidance literature:

With toluene-4-sulfonic acid; In dichloromethane; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.2174/1570180811310070010

Reference yield:

5-bromo-1H-indazole (53857-57-1) → 5-bromo-3-iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole (1380917-35-0)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium hydroxide; iodine / N,N-dimethyl-formamide / 3 h / 0 °C / Inert atmosphere

2: toluene-4-sulfonic acid / dichloromethane / 1 h / 20 °C / Inert atmosphere

With iodine; toluene-4-sulfonic acid; potassium hydroxide; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.2174/1570180811310070010

Reference yield: 99.0%

4-fluoro-2-methoxy-5-nitro-phenylamine (1075705-01-9) + 5-bromo-3-iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole (1380917-35-0) → 5-bromo-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-3-amine

Guidance literature:

With palladium diacetate; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In toluene; at 60 ℃; for 6h; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.jmedchem.6b01626

upstream raw materials:

5-bromo-1H-indazole

3,4-dihydro-2H-pyran

5-bromo-3-iodo-1H-indazole

Downstream raw materials:

ethyl 4-(3-(4-hydroxyphenyl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-5-yl) benzoate

4-(3-(4-hydroxyphenyl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-5-yl) benzoic acid

C₂₀H₁₄N₂O₃

(4-(3-(4-hydroxyphenyl)-1H-indazol-5-yl)phenyl)(piperazin-1-yl)methanone