5-Bromo-1-methylindoline

Base Information

• Chemical Name: 5-Bromo-1-methylindoline
• CAS No.: 99848-78-9
• Molecular Formula: C9H10BrN
• Molecular Weight: 212.09
• Hs Code.: 2933998090
• European Community (EC) Number: 878-838-9
• DSSTox Substance ID: DTXSID20598358
• Nikkaji Number: J2.573.854C
• Wikidata: Q82494108
• Mol file: 99848-78-9.mol

Synonyms:5-Bromo-1-methylindoline;99848-78-9;5-bromo-1-methyl-2,3-dihydroindole;5-Bromo-1-methyl-2,3-dihydro-1H-indole;5-Bromo-2,3-dihydro-1-methyl-1H-indole;SCHEMBL2056315;DTXSID20598358;YIRSVRZXIXHOSN-UHFFFAOYSA-N;ZDA84878;MFCD09817498;AKOS022254506;AM87514;PS-3763;SB65858;DB-080637;CS-0206329;EN300-367034;G72493

Chemical Property of 5-Bromo-1-methylindoline

Chemical Property:

• Vapor Pressure: 0.0014mmHg at 25°C
• Boiling Point: 296.9°C at 760 mmHg
• PKA: 5.30±0.20(Predicted)
• Flash Point: 133.3°C
• PSA: 3.24000
• Density: 1.455g/cm³
• LogP: 2.50640
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 210.99966
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

98%Min ^*data from raw suppliers

5-bromo-1-methylindoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC2=C1C=CC(=C2)Br

Technology Process of 5-Bromo-1-methylindoline

There total 6 articles about 5-Bromo-1-methylindoline 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: 49.9%

→ 5-bromo-1-methyl-2,3-dihydroindole (99848-78-9) + 1-methyl-3-diphenylsilanyl-5-bromoindole

Guidance literature:

With tris(pentafluorophenyl)borate; In benzene-d6; at 20 ℃; for 3.5h; Time;

Reference yield: 48.5%

→ 5-bromo-1-methyl-2,3-dihydroindole (99848-78-9) + 3-(triphenylsilyl)-5-bromo-1-methylindole

Guidance literature:

With tris(pentafluorophenyl)borate; In benzene-d6; at 20 ℃; for 18h; Time;

Reference yield: 44.89%

→ 5-bromo-1-methyl-2,3-dihydroindole (99848-78-9) + 3,3'-(phenylsilanediyl)bis(5-bromo-1-methylindole)

Guidance literature:

With tris(pentafluorophenyl)borate; In benzene-d6; at 20 ℃; for 24h;

upstream raw materials:

5-bromo-1-methyl-H-indole

diphenylsilane

HSiPh₃

phenylsilane

Downstream raw materials:

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

5-bromo-1-methyl-H-indole