Metixene

Base Information

• Chemical Name: Metixene
• CAS No.: 4969-02-2
• Molecular Formula: C20H23NS
• Molecular Weight: 309.475
• European Community (EC) Number: 225-610-6
• UNII: 32VY6L26ZW
• DSSTox Substance ID: DTXSID1047867
• Nikkaji Number: J8.790D
• Wikipedia: Metixene
• Wikidata: Q1176336
• NCI Thesaurus Code: C74162
• Pharos Ligand ID: GTSYTG18XFZN
• Metabolomics Workbench ID: 42718
• ChEMBL ID: CHEMBL1201342
• Mol file: 4969-02-2.mol

Synonyms:1-methyl-3-(thioxanthen-9-ylmethyl)- piperidine hydrochloride;methixene;methixene hydrochloride;methixene hydrochloride, monohydrate;metixene;Tremarit

Chemical Property of Metixene

Chemical Property:

• Vapor Pressure: 2.99E-07mmHg at 25°C
• Boiling Point: 419.7 °C at 760 mmHg
• Flash Point: 207.6 °C
• PSA: 28.54000
• Density: 1.118 g/cm³
• LogP: 4.95290
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 309.15512091
• Heavy Atom Count: 22
• Complexity: 349

Purity/Quality:

95-99% ^*data from raw suppliers

METIXENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCCC(C1)CC2C3=CC=CC=C3SC4=CC=CC=C24
• Therapeutic Function: Spasmolytic

Technology Process of Metixene

There total 5 articles about Metixene 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-3-thioxanthen-9-ylmethyl-piperidine 1-oxide: hydrochloride (94576-17-7) → Tremonil (4969-02-2,115511-20-1,115511-21-2)

Guidance literature:

With phosphorus trichloride; In chloroform; for 4h; Heating;

DOI:10.1002/hlca.19630460402

Reference yield:

3-thioxanthen-9-ylmethyl-piperidine-1-carbonitrile (94546-19-7) → Tremonil (4969-02-2,115511-20-1,115511-21-2)

Guidance literature:

Multi-step reaction with 2 steps

1: HCl / 20 h / Heating

2: (i) dioxan, (ii) Ac₂O, Py

With hydrogenchloride;

DOI:10.1002/hlca.19630460402

Reference yield:

→ Tremonil (4969-02-2,115511-20-1,115511-21-2)

Guidance literature:

upstream raw materials:

1-methyl-3-thioxanthen-9-ylmethyl-piperidine 1-oxide: hydrochloride

3-thioxanthen-9-ylmethyl-piperidine

methyl iodide

3-thioxanthen-9-ylmethyl-piperidine-1-carbonitrile