Acetophenazine

Base Information

• Chemical Name: Acetophenazine
• CAS No.: 2751-68-0
• Molecular Formula: C₂₃H₂₉N₃O₂S
• Molecular Weight: 411.568
• UNII: 8620H6K4QH
• DSSTox Substance ID: DTXSID2022547
• Nikkaji Number: J7.905G
• Wikipedia: Acetophenazine
• Wikidata: Q4673284
• NCI Thesaurus Code: C81085
• Pharos Ligand ID: ZP6YB99MZCHX
• Metabolomics Workbench ID: 43301
• ChEMBL ID: CHEMBL1085
• Mol file: 2751-68-0.mol

Synonyms:acetophenazine;acetophenazine maleate;acetophenazine, (Z)-2-maleate (1:2) salt;acetophenazine, ion (1+)

Chemical Property of Acetophenazine

Chemical Property:

• Vapor Pressure: 7.83E-16mmHg at 25°C
• Boiling Point: 608.7°Cat760mmHg
• PKA: 14.96±0.10(Predicted)
• Flash Point: 321.9°C
• PSA: 72.32000
• Density: 1.203g/cm³
• LogP: 3.43270
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 411.19804835
• Heavy Atom Count: 29
• Complexity: 540

Purity/Quality:

99% ^*data from raw suppliers

ACETOPHENAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)CCO
• Uses: Antipsychotic.

Technology Process of Acetophenazine

There total 2 articles about Acetophenazine 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:

→ acetophenazine (2751-68-0)

Guidance literature:

1. 1-Chlor-3-<1-(2-hydroxy-aethyl)-piperazin-4-yl>-propan, 3-Acetyl-phenothiazin-aethylenketal, sd. Toluol, NaNH2; 2. wss. HCl; 3. wss. NaOH;

Reference yield:

→ 1-(10-{3-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-propyl}-phenothiazin-2-yl)-ethanone; radical cation (2751-68-0)

Guidance literature:

Acetophenazin,H2O2;(S.898);

DOI:10.1021/jm00279a006