3-Iodo-7-methyl-1H-indazole

Base Information

• Chemical Name: 3-Iodo-7-methyl-1H-indazole
• CAS No.: 847906-27-8
• Molecular Formula: C₈H₇IN₂
• Molecular Weight: 258.061
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30478859
• Nikkaji Number: J2.173.159E
• Wikidata: Q82312545
• Mol file: 847906-27-8.mol

Synonyms:3-Iodo-7-methyl-1H-indazole;847906-27-8;3-Iodo-7-methyl (1H)indazole;3-iodo-7-methyl-2H-indazole;MFCD07781632;3-iodo-7-methyl-indazole;SCHEMBL5746944;DTXSID30478859;WYUIOANIHMLVPU-UHFFFAOYSA-N;XIB90627;AKOS016009942;AB42733;AM804395;AS-40396;SY030200;CS-0101144;A863981;J-512695

Chemical Property of 3-Iodo-7-methyl-1H-indazole

Chemical Property:

• Vapor Pressure: 2.66E-05mmHg at 25°C
• Refractive Index: 1.749
• Boiling Point: 368.6°C at 760 mmHg
• PKA: 12.43±0.40(Predicted)
• Flash Point: 176.7°C
• PSA: 28.68000
• Density: 1.933g/cm³
• LogP: 2.47590
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 257.96540
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

97% ^*data from raw suppliers

1H-INDAZOLE,3-IODO-7-METHYL- 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC2=C(NN=C12)I

Technology Process of 3-Iodo-7-methyl-1H-indazole

There total 1 articles about 3-Iodo-7-methyl-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: 92.0%

7-methylindazole (3176-66-7) → 3-iodo-7-methyl-1H-indazole (847906-27-8)

Guidance literature:

With iodine; potassium hydroxide; In N,N-dimethyl-formamide; at 20 ℃; for 4h;

Reference yield:

phenylboronic acid (98-80-6) + 3-iodo-7-methyl-1H-indazole (847906-27-8) → 3-iodo-7-methyl-2-phenylindazole + 3-iodo-7-methyl-1-phenylindazole

Guidance literature:

With pyridine; copper diacetate; In dichloromethane; at 20 ℃;

DOI:10.1016/j.tetlet.2005.03.157

Reference yield:

3-iodo-7-methyl-1H-indazole (847906-27-8) → 7-methyl-1H-indazole-3-carbonitrile (90322-84-2)

Guidance literature:

upstream raw materials:

7-methylindazole

Downstream raw materials:

7-methyl-1H-indazole-3-carbonitrile