3-Iodo-5-methoxy-1H-indazole

Base Information

• Chemical Name: 3-Iodo-5-methoxy-1H-indazole
• CAS No.: 290367-99-6
• Molecular Formula: C8H7 I N2 O
• Molecular Weight: 274.061
• DSSTox Substance ID: DTXSID80573166
• Nikkaji Number: J1.338.040F
• Wikidata: Q82461764
• Mol file: 290367-99-6.mol

Synonyms:3-Iodo-5-methoxy-1H-indazole;290367-99-6;3-Iodo-5-methoxyindazole;3-Iodo-5-methoxy (1H)indazole;3-iodo-5-methoxy-2H-indazole;1H-INDAZOLE, 3-IODO-5-METHOXY-;3-Iodo-5-methoxy(1H)indazole;SCHEMBL5952020;AMY7318;DTXSID80573166;QLWRATLJRVZESA-UHFFFAOYSA-N;MFCD07781661;AKOS015853605;AB42751;AS-40395;CS-0085359;A876545;J-017369

Chemical Property of 3-Iodo-5-methoxy-1H-indazole

Chemical Property:

• PSA: 37.91000
• LogP: 2.17610
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 273.96031
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

97% ^*data from raw suppliers

3-IODO-5-METHOXY-1H-INDAZOLE 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(NN=C2C=C1)I

Technology Process of 3-Iodo-5-methoxy-1H-indazole

There total 1 articles about 3-Iodo-5-methoxy-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: 100.0%

5-methoxy-1H-indazole (94444-96-9) → 3-iodo-5-methoxy-1H-indazole (290367-99-6)

Guidance literature:

With potassium hydroxide; iodine; In 1,4-dioxane; at 0 - 20 ℃; for 3h;

DOI:10.1055/s-2006-950242

Reference yield: 95.0%

di-tert-butyl dicarbonate (24424-99-5) + 3-iodo-5-methoxy-1H-indazole (290367-99-6) → tert-butyl 3-iodo-5-methoxy-1H-indazole-1-carboxylate (290368-03-5)

Guidance literature:

3-iodo-5-methoxy-1H-indazole; With dmap; triethylamine; In acetonitrile; for 0.166667h;

di-tert-butyl dicarbonate; In acetonitrile; at 20 ℃; for 10h;

DOI:10.1016/j.tetlet.2010.05.060

Reference yield: 85.0%

benzyl bromide (100-39-0) + 3-iodo-5-methoxy-1H-indazole (290367-99-6) → 1-benzyl-3-iodo-5-methoxy-1H-indazole (290368-02-4)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; for 8h;

DOI:10.1016/S0040-4039(00)00624-9

upstream raw materials:

5-methoxy-1H-indazole

Downstream raw materials:

tert-butyl 3-iodo-5-methoxy-1H-indazole-1-carboxylate

1-benzyl-3-iodo-5-methoxy-1H-indazole

methyl 5-methoxy-1H-indazole-3-carboxylate

3-(5-methoxy-1H-indazol-3-yl)benzenesulfonamide

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