Metiapine

Base Information

• Chemical Name: Metiapine
• CAS No.: 5800-19-1
• Molecular Formula: C₁₉H₂₁N₃S
• Molecular Weight: 323.462
• UNII: 775D6D91J8
• DSSTox Substance ID: DTXSID7020891
• Nikkaji Number: J8.069A
• Wikipedia: Metiapine
• Wikidata: Q27266552
• NCI Thesaurus Code: C90761
• ChEMBL ID: CHEMBL2106892
• Mol file: 5800-19-1.mol

Synonyms:2-methyl-11-(4-methyl-1-piperazinyl)-dibenzo (b,f)(1,4)thiazepine;metiapine

Chemical Property of Metiapine

Chemical Property:

• Vapor Pressure: 3.87E-09mmHg at 25°C
• Melting Point: 103°C
• Refractive Index: 1.5605 (estimate)
• Boiling Point: 473.6°Cat760mmHg
• Flash Point: 240.2°C
• PSA: 44.14000
• Density: 1.22g/cm³
• LogP: 3.09670
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 323.14561886
• Heavy Atom Count: 23
• Complexity: 444

Purity/Quality:

99% ^*data from raw suppliers

METIAPINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)SC3=CC=CC=C3N=C2N4CCN(CC4)C
• Uses: Antipsychotic .

Technology Process of Metiapine

There total 3 articles about Metiapine 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:

2-methyl-10H-dibenzo[b,f][1,4]thiazepin-11-one (3159-10-2) → 11-(N-Methylpiperazino)-2-methyldibenzo-1,4-thiazepin (5800-19-1)

Guidance literature:

Multi-step reaction with 2 steps

1: POCl₃, PhNMe₂ / 5 h / Heating

2: xylene / 5 h / Heating

With N,N-dimethyl-aniline; trichlorophosphate; In xylene;

DOI:10.1002/hlca.19670500131

Reference yield:

1-methyl-piperazine (109-01-3) + 11-chloro-2-methyl-dibenzo[b,f][1,4]thiazepine (13745-90-9) → 11-(N-Methylpiperazino)-2-methyldibenzo-1,4-thiazepin (5800-19-1)

Guidance literature:

In xylene; for 5h; Heating;

DOI:10.1002/hlca.19670500131

Reference yield:

→ 11-(N-Methylpiperazino)-2-methyldibenzo-1,4-thiazepin (5800-19-1)

Guidance literature:

Entspr. cycl. Amid, entspr. Amin;

upstream raw materials:

1-methyl-piperazine

11-chloro-2-methyl-dibenzo[b,f][1,4]thiazepine

2-methyl-10H-dibenzo[b,f][1,4]thiazepin-11-one

Refernces