5-Bromo-2-methyl-2H-indazole

Base Information

• Chemical Name: 5-Bromo-2-methyl-2H-indazole
• CAS No.: 465529-56-0
• Molecular Formula: C8H7BrN2
• Molecular Weight: 211.061
• Hs Code.: 2933990090
• European Community (EC) Number: 689-106-1
• DSSTox Substance ID: DTXSID40467850
• Nikkaji Number: J2.283.547E
• Wikidata: Q72447218
• Mol file: 465529-56-0.mol

Synonyms:5-Bromo-2-methyl-2H-indazole;465529-56-0;5-Bromo-2-methylindazole;2-METHYL-5-BROMO-2H-INDAZOLE;MFCD09870047;2H-INDAZOLE, 5-BROMO-2-METHYL-;2-METHYL-5-BROMOINDAZOLE;SCHEMBL906617;DTXSID40467850;QFZOHVHNTZTZMJ-UHFFFAOYSA-N;BCP00200;CS-B0841;AKOS005256314;FS-2619;PB25227;SY065482;5-Bromo-2-methyl-2H-indazole, AldrichCPR;A7239;AM20040526;FT-0649438;EN300-177126;J-516966;Z1269233669

Chemical Property of 5-Bromo-2-methyl-2H-indazole

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.663
• Boiling Point: 322.677 °C at 760 mmHg
• PKA: -0.06±0.30(Predicted)
• Flash Point: 148.95 °C
• PSA: 17.82000
• Density: 1.607g/cm³
• LogP: 2.33580
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 209.97926
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

98%, ^*data from raw suppliers

5-Bromo-2-methylindazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C2C=C(C=CC2=N1)Br

Technology Process of 5-Bromo-2-methyl-2H-indazole

There total 15 articles about 5-Bromo-2-methyl-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: 77.0%

methyl bromide (74-83-9) + 5-bromo-1H-indazole (53857-57-1) → 2-Methyl-5-bromo-2H-indazole (465529-56-0) + 5-bromo-1-methyl-1H-indazole (465529-57-1)

Guidance literature:

5-bromo-1H-indazole; With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃; for 0.166667h;

methyl bromide; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 2h;

DOI:10.3762/bjoc.12.288

Reference yield: 70.0%

5-bromo-1H-indazole (53857-57-1) + trimethoxonium tetrafluoroborate (420-37-1) → 2-Methyl-5-bromo-2H-indazole (465529-56-0)

Guidance literature:

5-bromo-1H-indazole; trimethoxonium tetrafluoroborate; In ethyl acetate; at 20 ℃; Inert atmosphere;

With sodium hydroxide; In water; Cooling with ice;

Reference yield: 53.0%

→ 2-Methyl-5-bromo-2H-indazole (465529-56-0) + 5-bromo-1-methyl-1H-indazole (465529-57-1)

Guidance literature:

upstream raw materials:

5-bromo-1H-indazole

methyl iodide

4'-bromo-2'-methylacetanilide

acetic acid-(4-bromo-2-methyl-N-nitroso-anilide)

Downstream raw materials:

2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole

2‐(5‐bromo‐2‐methyl‐2H‐indazol‐3‐yl)propan‐2‐ol

trans‐N1‐{4‐[2‐methyl‐3‐(propan‐2‐yl)‐2H‐indazol‐5‐yl]pyrimidin‐2‐yl}‐N4‐(oxan‐4‐yl)cyclohexane‐1,4‐diamine

N₁-[4-(3-isopropyl-2-methyl-2H-indazol-5-yl)pyrimidin-2-yl]-N₄-(tetrahydro-2H-pyran-4-yl)cyclohexane-trans-1,4-diamine methanesulfonic acid salt

Refernces

• 1、 -. "SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS". Page/Page column 166. . Retrieved 2020/08/28.
• 2、 -. "HETEROBICYCLIC COMPOUNDS FOR INHIBITING THE ACTIVITY OF SHP2". Paragraph 0484-0486; 0493-0495. . Retrieved 2020/02/16.