Oxyphenisatin acetate

Base Information

• Chemical Name: Oxyphenisatin acetate
• CAS No.: 115-33-3
• Deprecated CAS: 8055-09-2
• Molecular Formula: C24H19 N O5
• Molecular Weight: 401.419
• Hs Code.: 2933790090
• European Community (EC) Number: 204-083-6
• NSC Number: 117186,59687
• UNII: U0Y1YAL65X
• DSSTox Substance ID: DTXSID9023411
• Nikkaji Number: J5.138A
• Wikidata: Q27290537
• NCI Thesaurus Code: C170278
• Metabolomics Workbench ID: 154987
• ChEMBL ID: CHEMBL1402684
• Mol file: 115-33-3.mol

Synonyms:Acetate, Oxyphenisatin;Acetfenolisatin;Diasatine;Dioxyphenylisatin;Isocrin;Oxyphenisatin;Oxyphenisatin Acetate;Oxyphenisatine;Phenolisatin

Chemical Property of Oxyphenisatin acetate

Chemical Property:

• Vapor Pressure: 7.5E-13mmHg at 25°C
• Melting Point: 244℃
• Boiling Point: 566.5 °C at 760 mmHg
• PKA: 13.55±0.40(Predicted)
• Flash Point: 296.4 °C
• PSA: 81.70000
• Density: 1.282 g/cm³
• LogP: 3.96170
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slig
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 401.12632271
• Heavy Atom Count: 30
• Complexity: 625

Purity/Quality:

99% ^*data from raw suppliers

OxyphenisatinDiacetate(>90%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C
• Uses: Oxyphenisatin Diacetate is the pro-drug of Oxyphenisatin (O876965). Results confirm that Oxyphenisatin Diacetate inhibits the growth of breast cancer cell lines MCF7, T47D, HS578T, and MDA-MB-468. Laxative.
• Therapeutic Function: Laxative

Technology Process of Oxyphenisatin acetate

There total 6 articles about Oxyphenisatin acetate 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:

oxyphenisatine (125-13-3) → Bisatin (115-33-3)

Guidance literature:

With sodium hydroxide; water; acetic anhydride; at -5 - 0 ℃;

Reference yield:

indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) + Phenyl acetate (122-79-2,34474-31-2) → Bisatin (115-33-3)

Guidance literature:

With trichlorophosphate;

Reference yield:

oxyphenisatine (125-13-3) + acetic anhydride (108-24-7) → Bisatin (115-33-3)

Guidance literature:

With sulfuric acid; benzene;

upstream raw materials:

3,3-dichloro-2,3-dihydro-1H-indol-2-one

Phenyl acetate

oxyphenisatine

acetic anhydride