12-((4-methyl-1-piperazinyl)acetyl)-12H-benzo[b]phenothiazine

Base Information

• Chemical Name: 12-((4-methyl-1-piperazinyl)acetyl)-12H-benzo[b]phenothiazine
• CAS No.: 18587-27-4
• Molecular Formula: C₂₃H₂₃N₃OS
• Molecular Weight: 389.521
• NSC Number: 116491
• DSSTox Substance ID: DTXSID70297526
• Wikidata: Q82038659
• ChEMBL ID: CHEMBL1374524

Synonyms:NSC116491;18587-27-4;NSC-116491;12-((4-methyl-1-piperazinyl)acetyl)-12H-benzo[b]phenothiazine;NCIStruc1_001510;NCIStruc2_000986;CHEMBL1374524;DTXSID70297526;CCG-37247;NCGC00014162;NCI116491;NCGC00014162-02;NCGC00097271-01;NCI60_000371

Chemical Property of 12-((4-methyl-1-piperazinyl)acetyl)-12H-benzo[b]phenothiazine

Chemical Property:

• Vapor Pressure: 9.55E-16mmHg at 25°C
• Boiling Point: 629.3°Cat760mmHg
• Flash Point: 334.4°C
• Density: 1.27g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 389.15618354
• Heavy Atom Count: 28
• Complexity: 564

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3SC4=CC5=CC=CC=C5C=C42

Technology Process of 12-((4-methyl-1-piperazinyl)acetyl)-12H-benzo[b]phenothiazine

There total 1 articles about 12-((4-methyl-1-piperazinyl)acetyl)-12H-benzo[b]phenothiazine 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:

1-methyl-piperazine (109-01-3) + 12-chloroacetyl-12H-benzo[b]phenothiazine → 4-Methylpiperazino-acetyl-12H-benzophenothiazin (18587-27-4)

Guidance literature:

In benzene; Heating;

DOI:10.1039/j39680001592

upstream raw materials:

1-methyl-piperazine

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