7-Oxo-7H-benzo[e]perimidine-4-carboxylic acid

Base Information

• Chemical Name: 7-Oxo-7H-benzo[e]perimidine-4-carboxylic acid
• CAS No.: 65359-16-2
• Molecular Formula: C16H8N2O3
• Molecular Weight: 276.251
• European Community (EC) Number: 265-715-4
• NSC Number: 84167
• UNII: B1A8BPF5U8
• DSSTox Substance ID: DTXSID90215686
• Nikkaji Number: J32.334I
• Wikidata: Q83091756
• ChEMBL ID: CHEMBL166209

Synonyms:7-Oxo-7H-benzo[e]perimidine-4-carboxylic acid;65359-16-2;7-Oxo-7H-benzo(e)perimidine-4-carboxylic acid;7-oxobenzo[e]perimidine-4-carboxylic acid;NSC84167;B1A8BPF5U8;MLS000077061;CHEMBL166209;C16H8N2O3;EINECS 265-715-4;NSC 84167;NSC-84167;SMR000008738;7-Oxo-7h-benzo[e]perimidine-4-carboxylicacid;UNII-B1A8BPF5U8;cid_72574;SCHEMBL7142147;BDBM32001;DTXSID90215686;HMS1675E21;HMS2187N08;STK530189;AKOS000592634;NCGC00033933-03;7-oxo-4-benzo[e]perimidinecarboxylic acid;7-ketobenzo[e]perimidine-4-carboxylic acid;LS-191179;FT-0721109;SR-01000314383;7-oxidanylidenebenzo[e]perimidine-4-carboxylic acid;SR-01000314383-1;W-111257;7H-BENZO(E)PERIMIDINE-4-CARBOXYLIC ACID, 7-OXO-

Chemical Property of 7-Oxo-7H-benzo[e]perimidine-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.05E-14mmHg at 25°C
• Boiling Point: 588.8°C at 760 mmHg
• Flash Point: 309.9°C
• Density: 1.552g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 276.05349212
• Heavy Atom Count: 21
• Complexity: 466

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=NC=NC4=C(C=CC(=C43)C2=O)C(=O)O

Technology Process of 7-Oxo-7H-benzo[e]perimidine-4-carboxylic acid

There total 1 articles about 7-Oxo-7H-benzo[e]perimidine-4-carboxylic acid 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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1-aminoanthraquinone-2-carboxylic acid (82-24-6) → 7-oxo-7H-benzo[e]pyrimidine-4-carboxylic acid (65359-16-2)

Guidance literature:

With ammonia; water;

Reference yield:

7-oxo-7H-benzo[e]pyrimidine-4-carboxylic acid (65359-16-2) → 7-oxo-7H-benzo[e]perimidine-4-carboxylic acid (2-amino-cyclohexyl)-amide

Guidance literature:

Multi-step reaction with 2 steps

1: dimethylformamide / 1 h / 20 °C

2: dimethylformamide / 18 h / Ambient temperature

In N,N-dimethyl-formamide;

DOI:10.1016/S0960-894X(99)00075-X

Reference yield:

7-oxo-7H-benzo[e]pyrimidine-4-carboxylic acid (65359-16-2) → 7-oxo-7H-benzo[e]perimidine-4-carboxylic acid (2-amino-cyclohexyl)-amide (204204-26-2)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethylformamide / 1 h / 20 °C

2: dimethylformamide / 18 h / Ambient temperature

In N,N-dimethyl-formamide;

DOI:10.1016/S0960-894X(99)00075-X

upstream raw materials:

formaldehyd

1-aminoanthraquinone-2-carboxylic acid

Downstream raw materials:

7-oxo-7H-benzo[e]perimidine-4-carboxylic acid (2-amino-cyclohexyl)-amide

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