Pimethixene

Base Information

• Chemical Name: Pimethixene
• CAS No.: 314-03-4
• Molecular Formula: C19H19 N S
• Molecular Weight: 293.433
• European Community (EC) Number: 206-240-4
• UNII: T46J20J26F
• DSSTox Substance ID: DTXSID0048476
• Nikkaji Number: J11.609B
• Wikipedia: Pimethixene
• Wikidata: Q6676377
• NCI Thesaurus Code: C82276
• Metabolomics Workbench ID: 154116
• ChEMBL ID: CHEMBL152408
• Mol file: 314-03-4.mol

Synonyms:1-methyl-4-thioxanthen-9-ylidenepiperidine;BP 400;Calmixène;pimethixene

Chemical Property of Pimethixene

Chemical Property:

• Vapor Pressure: 6.23E-08mmHg at 25°C
• Melting Point: 121°C
• Refractive Index: 1.5300 (estimate)
• Boiling Point: 439.7°Cat760mmHg
• PKA: 8.83±0.20(Predicted)
• Flash Point: 219.7°C
• PSA: 28.54000
• Density: 1.192g/cm³
• LogP: 4.61660
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 293.12382078
• Heavy Atom Count: 21
• Complexity: 382

Purity/Quality:

99%, ^*data from raw suppliers

Pimethixene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC(=C2C3=CC=CC=C3SC4=CC=CC=C42)CC1
• Uses: Pimethixene is an antihistamine and anticholinergic of the thioxanthene chemical class that is used to treat hyperactivity.

Technology Process of Pimethixene

There total 8 articles about Pimethixene 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: 89.0%

4-(9H-thioxanthen-9-ylidene)-1-piperidinecarboxylic acid ethyl ester (138248-26-7) → pimethixene (314-03-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 2h; Heating;

DOI:10.1248/cpb.45.842

Reference yield: 33.0%

9-(1-methyl-piperidin-4-yl)-thioxanthen-9-ol (3967-45-1) → 1-Methyl-4-(9H-thioxanthen-9-yl)-piperidine (121360-49-4) + pimethixene (314-03-4)

Guidance literature:

With formic acid; for 2.5h; Heating;

DOI:10.1016/S0040-4039(00)82166-8

Reference yield:

1-Methyl-4-piperidone (1445-73-4) + thio-xanthene-9-one (492-22-8) → pimethixene (314-03-4)

Guidance literature:

With titanium tetrachloride; zinc; In tetrahydrofuran; at 0 ℃; for 0.25h;

1-Methyl-4-piperidone; thio-xanthene-9-one; at 0 - 60 ℃; for 20.3h;

upstream raw materials:

9-(1-methyl-piperidin-4-yl)-thioxanthen-9-ol

4-(9H-thioxanthen-9-ylidene)-1-piperidinecarboxylic acid ethyl ester

thio-xanthene-9-one

N-ethoxycarbonyl-4-piperidone

Refernces

• 1、 Honrubia, Maria Angeles,Jesus, Rodriguez,Dominguez, Rosa,Lozoya, Estrella,Manaut, Francesc,Seijas, Julio A.,Villaverde, Maria Carmen,Calleja, Jose M.,Cadavid, Maria Isabel,Maayani, Saul,Sanz, Ferran,Loza, Maria Isabel. "Synthesis, affinity at 5-HT(2A), 5-HT(2B) and 5-HT(2C) serotonin receptors and structure-activity relationships of a series of cyproheptadine analogues". . p. 842 - 848. Retrieved 2007/10/03.
• 2、 Engelhardt,Zell,Saari,Christy,Colton,Stone,Stavorski,Wenger,Ludden. "Structure-activity relationships in the cyproheptadine series.". . p. 829 - 835. Retrieved 2007/10/05.