3-Iodo-6-nitro-1H-indazole

Base Information

• Chemical Name: 3-Iodo-6-nitro-1H-indazole
• CAS No.: 70315-70-7
• Molecular Formula: C7H4IN3O2
• Molecular Weight: 289.032
• Hs Code.: 29339900
• European Community (EC) Number: 804-008-2
• DSSTox Substance ID: DTXSID30499680
• Wikidata: Q72484183
• Mol file: 70315-70-7.mol

Synonyms:3-IODO-6-NITRO-1H-INDAZOLE;70315-70-7;3-Iodo-6-nitroindazole;3-iodo-6-nitro-2H-indazole;1H-INDAZOLE, 3-IODO-6-NITRO-;3-Iodo-6-nitro (1H)indazole;MFCD07781652;SCHEMBL1176140;DTXSID30499680;GZCGNGLOCQEDMT-UHFFFAOYSA-N;BCP13975;AR2396;AKOS015898568;CS-W010008;GS-3910;PB32533;3-Iodo-6-nitro-1H-indazole, AldrichCPR;AC-24363;SY046621;A9280;AM20090680;FT-0686006;I1004;EN300-202665;J-512694

Chemical Property of 3-Iodo-6-nitro-1H-indazole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 259-261 °C
• Refractive Index: 1.818
• Boiling Point: 458.027 °C at 760 mmHg
• PKA: 9.12±0.40(Predicted)
• Flash Point: 230.807 °C
• PSA: 74.50000
• Density: 2.24 g/cm³
• LogP: 2.59890
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 288.93482
• Heavy Atom Count: 13
• Complexity: 220

Purity/Quality:

99.0%, High purity. ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-60
• Safety Statements: 53-22-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(NN=C2C=C1[N+](=O)[O-])I

Technology Process of 3-Iodo-6-nitro-1H-indazole

There total 3 articles about 3-Iodo-6-nitro-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: 97.7%

6-nitroindazole (7597-18-4) → 3-iodo-6-nitro-1H-indazole (70315-70-7)

Guidance literature:

With iodine; potassium carbonate; In N,N-dimethyl-formamide; at 25 - 60 ℃;

DOI:10.1021/acs.oprd.5b00123

Reference yield:

2-methyl-5-nitroaniline (99-55-8) → 3-iodo-6-nitro-1H-indazole (70315-70-7)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium nitrite; acetic acid

2: iodine; potassium carbonate

With iodine; potassium carbonate; acetic acid; sodium nitrite;

Reference yield:

→ 3-iodo-6-nitro-1H-indazole (70315-70-7)

Guidance literature:

6-Nitro-indazol, Dioxan-jodid-chlorid, Dioxan;

upstream raw materials:

6-nitroindazole

2-methyl-5-nitroaniline

Downstream raw materials:

3-iodo-6-aminoindazole

axitinib

(E)-N-methyl-2-{[3-(2-(pyridin-2-yl)ethenyl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-6-yl]thio}benzamide

Ethyl 2-(6-amino-3-phenyl-1H-indazol-1-yl)thiazole-4-carboxylate

Refernces

• 1、 -. "C3-CARBON LINKED GLUTARIMIDE DEGRONIMERS FOR TARGET PROTEIN DEGRADATION". Page/Page column 335; 336. . Retrieved 2017/12/05.
• 2、 -. "N-indazole substituted thiourea derivatives and preparation method and application thereof". Paragraph 0119; 0120; 0121. . Retrieved 2016/10/09.