5-bromo-7-methyl-1H-indazole

Base Information

• Chemical Name: 5-bromo-7-methyl-1H-indazole
• CAS No.: 156454-43-2
• Molecular Formula: C8H7BrN2
• Molecular Weight: 211.061
• Hs Code.: 2933990090
• European Community (EC) Number: 633-894-1
• DSSTox Substance ID: DTXSID70362546
• Nikkaji Number: J3.080.208J
• Wikidata: Q72447215
• ChEMBL ID: CHEMBL1498775
• Mol file: 156454-43-2.mol

Synonyms:5-bromo-7-methyl-1H-indazole;156454-43-2;1H-Indazole, 5-bromo-7-methyl-;MFCD03990484;1146637-09-3;5-Bromo-7-methylindazole;MLS000729257;SCHEMBL1145088;CHEMBL1498775;SCHEMBL13884874;2h-indazole,5-bromo-7-methyl-;DTXSID70362546;HMS2737F16;BCP01344;CS-M0324;STK779352;AKOS005072377;5-Bromo-7-methyl-1H-indazole, 97%;AB16895;ED-0740;AC-26728;SMR000307535;SY020614;AM20030058;FT-0649433;EN300-1590307;W-205801;Z1269185548

Chemical Property of 5-bromo-7-methyl-1H-indazole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 184-185°C
• Refractive Index: 1.697
• Boiling Point: 346.22 °C at 760 mmHg
• PKA: 13.13±0.40(Predicted)
• Flash Point: 163.188 °C
• PSA: 28.68000
• Density: 1.655 g/cm³
• LogP: 2.63380
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 209.97926
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

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

5-Bromo-7-methyl-1H-indazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=CC2=C1NN=C2)Br

Technology Process of 5-bromo-7-methyl-1H-indazole

There total 7 articles about 5-bromo-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: 95.7%

4-bromo-2,6-dimethylphenylamine (24596-19-8) → 5-bromo-7-methyl-1H-indazole (156454-43-2)

Guidance literature:

4-bromo-2,6-dimethylphenylamine; With potassium acetate; acetic anhydride; In chloroform; at 0 - 20 ℃; for 1h; Inert atmosphere;

With tert.-butylnitrite; In chloroform; at 60 ℃;

Reference yield: 89.0%

C12H17BrN2 (1424621-40-8) → 5-bromo-7-methyl-1H-indazole (156454-43-2)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide;

DOI:10.1016/j.bmcl.2013.01.011

Reference yield: 87.0%

trans-4-bromo-2,6-dimethylphenyldiazo-tert-butyl sulfide (943145-68-4) → 5-bromo-7-methyl-1H-indazole (156454-43-2)

Guidance literature:

trans-4-bromo-2,6-dimethylphenyldiazo-tert-butyl sulfide; With potassium tert-butylate; In dimethyl sulfoxide; at 20 ℃;

With hydrogenchloride; water; In dimethyl sulfoxide; at 4 ℃;

upstream raw materials:

trans-4-bromo-2,6-dimethylphenyldiazo-tert-butyl sulfide

4-bromo-2,6-dimethylphenylamine

C₁₂H₁₇BrN₂

Downstream raw materials:

7-methyl-1H-indazole-5-carbaldehyde

C₂₀H₁₉N₃O₄

5-bromo-2,7-dimethyl-2H-indazole

7-methyl-5-(2-(trifluoromethyl)phenyl)-1H-indazole

Refernces

• 1、 -. "PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS". Page/Page column 289; 319-320; 341; 350-351. . Retrieved 2020/03/15.
• 2、 -. "ARYL, HETEROARY, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS". Page/Page column 516; 517. . Retrieved 2018/09/21.