9H-Pyrido[3,4-b]indole, 3,6-dibromo-1-methyl-

Base Information

• Chemical Name: 9H-Pyrido[3,4-b]indole, 3,6-dibromo-1-methyl-
• CAS No.: 144434-74-2
• Molecular Formula: C12H8Br2N2
• DSSTox Substance ID: DTXSID00456381
• Nikkaji Number: J1.647.921G
• Wikidata: Q82278816

Synonyms:144434-74-2;9H-Pyrido[3,4-b]indole, 3,6-dibromo-1-methyl-;OTJUQRPMEHCTRS-UHFFFAOYSA-;DTXSID00456381;1-Methyl-3,6-dibromo-9H-pyrido[3,4-b]indole;InChI=1/C12H8Br2N2/c1-6-12-9(5-11(14)15-6)8-4-7(13)2-3-10(8)16-12/h2-5,16H,1H3

Chemical Property of 9H-Pyrido[3,4-b]indole, 3,6-dibromo-1-methyl-

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 339.90337
• Heavy Atom Count: 16
• Complexity: 274

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=CC(=N1)Br)C3=C(N2)C=CC(=C3)Br

Technology Process of 9H-Pyrido[3,4-b]indole, 3,6-dibromo-1-methyl-

There total 2 articles about 9H-Pyrido[3,4-b]indole, 3,6-dibromo-1-methyl- 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: 20.0%

harmane (486-84-0) → 6-bromo-1-methyl-9H-pyrido[3,4-b]indole (18813-71-3) + 8-bromo-1-methyl-9H-pyrido[3,4-b]indole (144434-73-1) + 1-methyl-6,8-dibromo-β-carboline (144434-75-3) + 3,6-dibromoharmane (144434-74-2)

Guidance literature:

With N-Bromosuccinimide; silica gel; In dichloromethane; at 18 ℃; for 2h;

DOI:10.1016/S0040-4020(01)90362-X

Reference yield: 16.0%

harmane (486-84-0) → 6-bromo-1-methyl-9H-pyrido[3,4-b]indole (18813-71-3) + 1-methyl-6,8-dibromo-β-carboline (144434-75-3) + 3,6-dibromoharmane (144434-74-2) + 3,6,8-tribromoharmane (144434-76-4)

Guidance literature:

With N-Bromosuccinimide; silica gel; In dichloromethane; at 18 ℃; for 48h; Further byproducts given;

DOI:10.1016/S0040-4020(01)90362-X

upstream raw materials:

harmane

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