5-Bromo-1-isopropyl-1H-indazole

Base Information

• Chemical Name: 5-Bromo-1-isopropyl-1H-indazole
• CAS No.: 1280786-83-5
• Molecular Formula: C10H11BrN2
• Molecular Weight: 239.11174
• Hs Code.: 2933990090
• European Community (EC) Number: 800-372-1
• DSSTox Substance ID: DTXSID60682068
• Wikidata: Q82606325
• Mol file: 1280786-83-5.mol

Synonyms:1280786-83-5;5-Bromo-1-isopropyl-1H-indazole;5-BROMO-1-ISOPROPYLINDAZOLE;5-bromo-1-propan-2-ylindazole;SCHEMBL13428;DTXSID60682068;MFCD18783165;AKOS015898067;AT16711;5-Bromo-1-(propan-2-yl)-1H-indazole;BS-20581;CS-0193059;A889071

Chemical Property of 5-Bromo-1-isopropyl-1H-indazole

Chemical Property:

• PSA: 17.82000
• LogP: 3.37970
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 238.01056
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-1-isopropylindazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N1C2=C(C=C(C=C2)Br)C=N1

Technology Process of 5-Bromo-1-isopropyl-1H-indazole

There total 2 articles about 5-Bromo-1-isopropyl-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: 47.0%

5-bromo-1H-indazole (53857-57-1) + isopropyl bromide (75-26-3) → 5-bromo-1-isopropyl-1H-indazole (1280786-83-5) + 5-bromo-2-isopropyl-2H-indazole

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 - 20 ℃; for 12h;

Reference yield: 45.0%

2-iodo-propane (75-30-9) + 5-bromo-1H-indazole (53857-57-1) → 5-bromo-1-isopropyl-1H-indazole (1280786-83-5)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl-formamide; at 20 ℃; for 48h;

DOI:10.1021/acs.jmedchem.0c00292

Reference yield:

5-bromo-1-isopropyl-1H-indazole (1280786-83-5) + ethyl 2-oxo-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate → C18H16N2O3

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate; In 1,4-dioxane; water; at 100 ℃; for 2h; Inert atmosphere;

upstream raw materials:

5-bromo-1H-indazole

isopropyl bromide

2-iodo-propane

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