2-Methyl-5-nitro-2H-indazole

Base Information

• Chemical Name: 2-Methyl-5-nitro-2H-indazole
• CAS No.: 5228-48-8
• Molecular Formula: C8H7 N3 O2
• Molecular Weight: 177.16
• Hs Code.: 2933990090
• European Community (EC) Number: 688-436-3
• NSC Number: 131655
• UNII: H3B9KJ36AQ
• DSSTox Substance ID: DTXSID60966658
• Nikkaji Number: J150.513K
• Wikidata: Q82949074
• ChEMBL ID: CHEMBL1484648
• Mol file: 5228-48-8.mol

Synonyms:2-Methyl-5-nitro-2H-indazole;5228-48-8;2-methyl-5-nitroindazole;2H-Indazole, 2-methyl-5-nitro-;H3B9KJ36AQ;NSC-131655;NSC131655;NSC 131655;UNII-H3B9KJ36AQ;2-methyl-5-nitro-indazole;Oprea1_234458;MLS000764009;SCHEMBL654958;CHEMBL1484648;DTXSID60966658;IWPBWVZEOVCZRX-UHFFFAOYSA-N;HMS2711D14;AMY12225;CCG-54288;MFCD00051809;2H-Benzopyrazole, 2-methyl-5-nitro-;AKOS005069400;SB11757;NCGC00246528-01;SMR000336155;2-Methyl-5-nitro-2H-indazole, AldrichCPR;CS-0051850;FT-0612978;11P-683;A829007;A871030;J-510003;SR-01000643394-1;2-Methyl-5-nitro-indazole

Chemical Property of 2-Methyl-5-nitro-2H-indazole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 129-131°C
• Boiling Point: 364.5°Cat760mmHg
• Flash Point: 174.2°C
• PSA: 63.64000
• Density: 1.42g/cm³
• LogP: 2.00470
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 177.053826475
• Heavy Atom Count: 13
• Complexity: 216

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Methyl-5-nitro-2H-indazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: S22:Do not inhale dust.; S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C2C=C(C=CC2=N1)[N+](=O)[O-]

Technology Process of 2-Methyl-5-nitro-2H-indazole

There total 9 articles about 2-Methyl-5-nitro-2H-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: 92.5%

trimethoxonium tetrafluoroborate (420-37-1) + 5-nitro-2H-indazole (65750-01-8) → 2-methyl-5-nitro-2H-indazole (5228-48-8)

Guidance literature:

In ethyl acetate; at 20 ℃; for 5h;

Reference yield: 90.0%

trimethoxonium tetrafluoroborate (420-37-1) + 5-nitroindazole (5401-94-5) → 2-methyl-5-nitro-2H-indazole (5228-48-8)

Guidance literature:

In ethyl acetate; at 20 ℃; for 5h;

DOI:10.1021/jo0265434

Reference yield: 58.0%

5-nitroindazole (5401-94-5) + methyl iodide (74-88-4) → 2-methyl-5-nitro-2H-indazole (5228-48-8) + 1-methyl-5-nitro-1H-indazole (5228-49-9)

Guidance literature:

5-nitroindazole; With caesium carbonate; In tetrahydrofuran; at 0 ℃; for 0.25h;

methyl iodide; In tetrahydrofuran; at 0 ℃;

DOI:10.1080/00397911.2015.1061670

upstream raw materials:

dimethyl sulfate

5-nitroindazole

trimethoxonium tetrafluoroborate

2-methyl-4-nitro-benzenamine

Downstream raw materials:

2-(2-Methyl-2H-indazol-5-ylamino)-benzoic acid

Refernces

• 1、 -. "HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES". Paragraph 000406. . Retrieved 2016/05/02.
• 2、 Chicha, Hakima,Bouissane, Latifa,El Ammari, Lahcen,Saadi, Mohamed,Baltas, Michel,El Mostapha, Rakib. "SnCl2/EtOH-mediated Synthesis of Novel 4-Ethoxy-and 4-Chloroindazoles Bearing Sulfonamide Moieties". supporting information. p. 2005 - 2013. Retrieved 2015/08/18.