C18H9BrN2O2

Base Information

• Chemical Name: C18H9BrN2O2
• CAS No.: 116387-59-8
• Molecular Formula: C18H9 Br N2 O2
• Molecular Weight: 370.2194
• DSSTox Substance ID: DTXSID80888888
• Nikkaji Number: J1.560.762I
• Wikidata: Q82868649
• Mol file: 116387-59-8.mol

Synonyms:116387-59-8;C18H9BrN2O2;SCHEMBL6824878;C18-H9-Br-N2-O2;DTXSID80888888;HCSVFPRILZPUFL-UHFFFAOYSA-N;6-bromo-1-cyano-3-methyl-3H-dibenz[f,ij]isoquinoline-2,7-dione;6-Bromo-2,7-dihydro-3-methyl-2,7-dioxo-3H-dibenzo[f,ij]isoquinoline-1-carbonitrile

Chemical Property of C18H9BrN2O2

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 363.98474
• Heavy Atom Count: 23
• Complexity: 661

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C3C(=C(C=C2)Br)C(=O)C4=CC=CC=C4C3=C(C1=O)C#N

Technology Process of C18H9BrN2O2

There total 2 articles about C18H9BrN2O2 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:

chloro-acetic acid-[(4-bromo-9,10-dioxo-9,10-dihydro-[1]anthryl)-methyl-amide] (39774-39-5) → 6-bromo-3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carbonitrile (116387-59-8)

Guidance literature:

With 2-hydroxyethyl acetate; Erhitzen der Reaktionsloesung mit wss. KCN;

DOI:10.1021/ja01157a148

Reference yield:

1-bromo-4-(methylamino)-9,10-anthracenedione (128-93-8) → 6-bromo-3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carbonitrile (116387-59-8)

Guidance literature:

With nitrobenzene; ethyl 2-cyanoacetate;

Reference yield:

6-bromo-3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carbonitrile (116387-59-8) + 3-chloro-aniline (108-42-9) → 6-(3-chloro-anilino)-3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carbonitrile

Guidance literature:

With copper diacetate; sodium acetate;

DOI:10.1021/ja01157a148

upstream raw materials:

1-bromo-4-(methylamino)-9,10-anthracenedione

chloro-acetic acid-[(4-bromo-9,10-dioxo-9,10-dihydro-[1]anthryl)-methyl-amide]

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