6-iodo-1H-indazole

Base Information

• Chemical Name: 6-iodo-1H-indazole
• CAS No.: 261953-36-0
• Molecular Formula: C7H5 I N2
• Molecular Weight: 244.035
• Hs Code.: 29339980
• European Community (EC) Number: 607-884-2
• DSSTox Substance ID: DTXSID60514491
• Wikidata: Q72483687
• Mol file: 261953-36-0.mol

Synonyms:6-iodo-1H-indazole;261953-36-0;6-Iodoindazole;1H-Indazole, 6-iodo-;MFCD04114695;6-Iodo(1H)indazole;EC 607-884-2;SCHEMBL1141578;SCHEMBL17696315;DTXSID60514491;RSGAXJZKQDNFEP-UHFFFAOYSA-N;BCP00928;CS-D0910;AKOS015853878;DS-2696;PB29317;AC-23729;SY020603;A5203;AM20040046;FT-0647772;I0933;NS00004760;EN300-121716;J-518802

Chemical Property of 6-iodo-1H-indazole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 207.0 to 211.0 °C
• Refractive Index: 1.788
• Boiling Point: 358.2°Cat760mmHg
• PKA: 12.96±0.40(Predicted)
• Flash Point: 170.4°C
• PSA: 28.68000
• Density: 2.082g/cm³
• LogP: 2.16750
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 243.94975
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

99.9% ^*data from raw suppliers

6-Iodo-1H-indazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1I)NN=C2
• Uses: 6-Iodo-1H-indazole is an intermediate used to synthesize inhibitors of Chk1.

Technology Process of 6-iodo-1H-indazole

There total 6 articles about 6-iodo-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: 85.0%

6-bromo-1H-indazole (79762-54-2) → 6-Iodo-1H-indazole (261953-36-0)

Guidance literature:

With copper(l) iodide; tetra-(n-butyl)ammonium iodide; N,N-dimethylethylenediamine; potassium iodide; In 1,4-dioxane; for 48h; Reagent/catalyst; Solvent; Reflux;

Reference yield: 80.0%

6-amino-1H-indazole (6967-12-0) → 6-Iodo-1H-indazole (261953-36-0)

Guidance literature:

6-amino-1H-indazole; With hydrogenchloride; sodium nitrite; In water; at 0 ℃; for 0.5h;

With potassium iodide; In dichloromethane; water; at 0 - 40 ℃; for 2.16667h;

Reference yield: 78.0%

1-acetyl-6-iodo-1H-indazole (850363-52-9) → 6-Iodo-1H-indazole (261953-36-0)

Guidance literature:

1-acetyl-6-iodo-1H-indazole; With hydrogenchloride; In 1,4-dioxane; water; at 70 ℃;

With sodium hydroxide; pH=~ 12 - 13;

upstream raw materials:

6-amino-1H-indazole

6-nitroindazole

5-iodo-o-toluidine

1-acetyl-6-iodo-1H-indazole

Downstream raw materials:

6-(thiophen-3-yl)-1H-indazole

C₁₄H₁₁IN₂

4-(6-iodo-1H-indazol-1-yl)-5-nitropyrimidin-2-amine

4-(6-iodo-1H-indazol-1-yl)pyrimidin-2-amine

Refernces

• 1、 -. "ALKYNYL INDAZOLE DERIVATIVE AND USE THEREOF". Paragraph 0250; 0251. . Retrieved 2017/02/24.
• 2、 -. "SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS". Page/Page column 121; 122. . Retrieved 2010/11/18.