1-Methylindazole

Base Information

• Chemical Name: 1-Methylindazole
• CAS No.: 13436-48-1
• Molecular Formula: C8H8N2
• Molecular Weight: 132.165
• Hs Code.: 2933990090
• European Community (EC) Number: 696-474-7
• NSC Number: 195339
• DSSTox Substance ID: DTXSID40158670
• Nikkaji Number: J150.510F
• Wikidata: Q83026986
• Mol file: 13436-48-1.mol

Synonyms:1-Methyl-1H-indazole;1-Methylindazole;13436-48-1;1H-Indazole,1-methyl-;NSC195339;1H-Indazole, 1-methyl-;SCHEMBL47226;DTXSID40158670;MFCD00661658;AKOS006274236;NSC 195339;NSC-195339;PB18505;AM803165;AS-50411;CS-0054743;FT-0660056;P10138;A806770;J-006527;InChI=1/C8H8N2/c1-10-8-5-3-2-4-7(8)6-9-10/h2-6H,1H

Chemical Property of 1-Methylindazole

Chemical Property:

• Vapor Pressure: 0.0968mmHg at 25°C
• Melting Point: 60.5°C
• Refractive Index: 1.609
• Boiling Point: 231 °C at 760 mmHg
• PKA: 1.50±0.50(Predicted)
• Flash Point: 93.5 °C
• PSA: 17.82000
• Density: 1.11 g/cm³
• LogP: 1.57330
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 132.068748264
• Heavy Atom Count: 10
• Complexity: 124

Purity/Quality:

97% ^*data from raw suppliers

1-Methyl-1H-indazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2C=N1

Technology Process of 1-Methylindazole

There total 36 articles about 1-Methylindazole 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%

3-bromo-1-methyl-1H-indazole (326474-67-3) → 1-methyl-1H-indazole (13436-48-1)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium tetrahydroborate; N,N,N,N,-tetramethylethylenediamine; In tetrahydrofuran; at 25 ℃; for 3.5h; Reagent/catalyst; Inert atmosphere;

DOI:10.1016/j.molcata.2014.06.012

Reference yield: 86.0%

3-amino-1-methyl-1H-indazole (60301-20-4) → 1-methyl-1H-indazole (13436-48-1)

Guidance literature:

With tert.-butylnitrite; In tetrahydrofuran; for 1h; Reflux;

DOI:10.1016/j.tet.2013.03.042

Reference yield: 76.0%

N-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-N'-methyl-hydrazine → 1-methyl-1H-indazole (13436-48-1)

Guidance literature:

With caesium carbonate; copper(I) bromide; at 100 ℃; for 4h;

DOI:10.1021/op400317z

upstream raw materials:

benzimidazole

methyl iodide

1-methyl-1H-indazole-3-carboxylic acid

2-(1H-indazol-1-yl)acetic acid

Downstream raw materials:

2-methylaminobenzonitrile

1‐methyl‐3‐phenyl‐1H‐indazole

1-methyl-3-(m-tolyl)-1H-indazole

2-methyl-3-phenyl-2H-indazole