Benz[g]isoquinoline-5,10-dione

Base Information

• Chemical Name: Benz[g]isoquinoline-5,10-dione
• CAS No.: 46492-08-4
• Molecular Formula: C13H7NO2
• Molecular Weight: 209.204
• Hs Code.: 2933990090
• European Community (EC) Number: 630-619-7
• NSC Number: 338695
• DSSTox Substance ID: DTXSID80196854
• Nikkaji Number: J38.215I
• Wikidata: Q72445325
• ChEMBL ID: CHEMBL179617
• Mol file: 46492-08-4.mol

Synonyms:benzo(g)isoquinoline-5,10-dione;BGID

Chemical Property of Benz[g]isoquinoline-5,10-dione

Chemical Property:

• Vapor Pressure: 7.77E-07mmHg at 25°C
• Melting Point: 178-180 °C
• Refractive Index: 1.668
• Boiling Point: 407 °C at 760 mmHg
• PKA: 1.10±0.20(Predicted)
• Flash Point: 202.1 °C
• PSA: 47.03000
• Density: 1.373 g/cm³
• LogP: 1.85700
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 209.047678466
• Heavy Atom Count: 16
• Complexity: 326

Purity/Quality:

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

Benz[g]isoquinoline-5,10-dione 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=NC=C3

Technology Process of Benz[g]isoquinoline-5,10-dione

There total 33 articles about Benz[g]isoquinoline-5,10-dione 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: 97.0%

5,10-dimethoxybenzo[g]isoquinoline → benz[g]isoquinoline-5,10-dione (46492-08-4)

Guidance literature:

With ammonium cerium (IV) nitrate; In water; acetonitrile; at 0 ℃; for 1h;

DOI:10.1039/c8ob02690d

Reference yield: 80.0%

C15H11NO2 (96937-79-0) → benz[g]isoquinoline-5,10-dione (46492-08-4)

Guidance literature:

at 150 - 160 ℃; for 0.166667h;

DOI:10.1021/jo00361a014

Reference yield: 64.0%

N-methanesulfonyl-(((1,4-dioxonaphth-2-yl)methyl)amino)acetaldehyde (1034013-01-8) → benz[g]isoquinoline-5,10-dione (46492-08-4)

Guidance literature:

With hydrogen bromide; acetic acid; at 20 ℃; for 16h;

DOI:10.1016/j.tet.2008.03.084

upstream raw materials:

carbon disulfide

2-azaanthracene

1-methoxy-1,3-butadiene

isoquinoline-5,8-dione

Refernces

• 1、 Koyama, Junko,Morita, Izumi,Kobayashi, Norihiro,Osakai, Toshiyuki,Usuki, Yoshinosuke,Taniguchi, Makoto. "Structure-activity relations of azafluorenone and azaanthraquinone as antimicrobial compounds". . p. 1079 - 1082. Retrieved 2005.
• 2、 Jacobs, Jan,Kesteleyn, Bart,De Kimpe, Norbert. "Synthesis of N-substituted 1,2-dihydrobenz[g]isoquinoline-5,10-diones". . p. 4985 - 4992. Retrieved 2008/09/21.