Daniquidone

Base Information

• Chemical Name: Daniquidone
• CAS No.: 67199-66-0
• Molecular Formula: C15H11N3O
• Molecular Weight: 249.272
• NSC Number: 752895,751454,751453,320846
• UNII: E780TX33D2
• DSSTox Substance ID: DTXSID3057802
• Nikkaji Number: J402.892I
• Wikidata: Q27276962
• NCI Thesaurus Code: C66984
• Metabolomics Workbench ID: 144673
• ChEMBL ID: CHEMBL114283
• Mol file: 67199-66-0.mol

Synonyms:8-aminoisoindolo(1,2-b)quinazolin-12(10H)one;batracylin;BAY H 2049;BAY H-2049;NSC 320846;NSC-320846

Chemical Property of Daniquidone

Chemical Property:

• Vapor Pressure: 4.49E-11mmHg at 25°C
• Boiling Point: 524°Cat760mmHg
• Flash Point: 270.7°C
• PSA: 58.69000
• Density: 1.46g/cm³
• LogP: 2.27120
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 249.090211983
• Heavy Atom Count: 19
• Complexity: 433

Purity/Quality:

98% ^*data from raw suppliers

8-AMINOISOINDOLO[1,2-B]QUINAZOLIN-12(10H)-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=C(C=CC(=C2)N)N=C3N1C(=O)C4=CC=CC=C43
• Recent ClinicalTrials: Safety of Batracylin in Patients With Solid Tumors and Lymphomas

Technology Process of Daniquidone

There total 18 articles about Daniquidone 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: 95.0%

ethyl N-<4-acetamido-2-(phthalimidomethyl)phenyl>carbamate (129276-20-6) → batracylin (67199-66-0)

Guidance literature:

With sulfuric acid; at 100 ℃; for 5h;

DOI:10.1071/CH9900339

Reference yield: 90.0%

8-nitroisoindolo<1,2-b>quinazolin-12(10H)-one (129490-16-0) → batracylin (67199-66-0)

Guidance literature:

With hydrogen; acetic acid; palladium on activated charcoal; In ethylenediamine; for 0.416667h; under 2585.7 Torr;

DOI:10.1021/jm00046a028

Reference yield: 80.0%

ethyl N-{[2-(phthalimidomethyl)-4-ethoxycarbonylamino]phenyl}carbamate (511530-09-9) → batracylin (67199-66-0)

Guidance literature:

ethyl N-{[2-(phthalimidomethyl)-4-ethoxycarbonylamino]phenyl}carbamate; With sulfuric acid; at 100 ℃; for 5h;

With ammonium hydroxide; Further stages.;

DOI:10.1021/jm021067v

upstream raw materials:

ethyl N-<4-acetamido-2-(phthalimidomethyl)phenyl>carbamate

8-nitroisoindolo<1,2-b>quinazolin-12(10H)-one

N-[2-(phthalimidomethyl)-1,4-diacetyl]phenylenediamine

ethyl N-{[2-(phthalimidomethyl)-4-ethoxycarbonylamino]phenyl}carbamate

Downstream raw materials:

N-(6-(1,1-dimethylethoxycarbonylamino)hexanoyl)batracylin