(E)-Flupentixol dihydrochloride

Base Information

• Chemical Name: (E)-Flupentixol dihydrochloride
• CAS No.: 2413-38-9
• Molecular Formula: C₂₃H₂₅F₃N₂OS*2ClH
• Molecular Weight: 507.447
• Hs Code.: 2942000000
• European Community (EC) Number: 219-321-4,689-792-2
• UNII: 3O4NUH2R5R
• Wikidata: Q27896171
• Mol file: 2413-38-9.mol

Synonyms:(E)-Flupentixol dihydrochloride;51529-02-3;(E)-flupentixol;Flupenthixol dihydrochloride;trans-Flupentixol hydrochloride;FLUPENTIXOL DIHYDROCHLORIDE;3O4NUH2R5R;Fupentixol dihydrochloride;trans-(E)-Flupentixol Dihydrochloride;Flupentixol dihydrochloride, (E)-;2413-38-9;2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol dihydrochloride;1-Piperazineethanol, 4-((3E)-3-(2-(trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)-, dihydrochloride;1-Piperazineethanol, 4-((3E)-3-(2-(trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)-, hydrochloride (1:2);1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)-, dihydrochloride, (E)-;C23H25F3N2OS.2ClH;C23-H25-F3-N2-O-S.2Cl-H;UNII-3O4NUH2R5R;Flupentixol (dihydrochloride);beta-Flupenthixol hydrochloride;SCHEMBL1153165;beta-Flupenthixol dihydrochloride;SCHEMBL11427109;2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol;dihydrochloride;HY-15856B;.BETA.-FLUPENTHIXOL HYDROCHLORIDE;111GE006;AS-16887;Flupenthixol dihydrochloride,4-[3-[2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]-1-piperazineethanoldihydrochloride;.BETA.-FLUPENTHIXOL DIHYDROCHLORIDE;CS-0027867;Q27896171

Chemical Property of (E)-Flupentixol dihydrochloride

Chemical Property:

• Appearance/Colour: Light brown solid
• Vapor Pressure: 3.87E-13mmHg at 25°C
• Melting Point: 237-239 °C(Solv: ethanol (64-17-5); methanol (67-56-1))
• Boiling Point: 554.7 °C at 760 mmHg
• Flash Point: 289.3 °C
• PSA: 52.01000
• LogP: 6.08150
• Storage Temp.: Desiccate at RT
• Solubility.: H2O: soluble
• Water Solubility.: soluble
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 506.1173245
• Heavy Atom Count: 32
• Complexity: 592

Purity/Quality:

98%,99%, ^*data from raw suppliers

(E/Z)-FlupentixolDihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO.Cl.Cl
• Isomeric SMILES: C1CN(CCN1CC/C=C/2\C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO.Cl.Cl
• Uses: Neuroleptic agent related structurally to thiothixene. Antipsychotic; neuroleptic agent; dopamine receptor antagonist.
• Therapeutic Function: Tranquilizer

Technology Process of (E)-Flupentixol dihydrochloride

There total 8 articles about (E)-Flupentixol dihydrochloride 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: 90.0%

2-{4-[3-(2-trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol (2709-56-0) → flupentixol hydrochloride (2413-38-9)

Guidance literature:

With hydrogenchloride; In acetone; Solvent; Large scale;

Reference yield: 86.0%

(E)-flupentixol dihydrochloride (2413-38-9) + (Z)-Flupentixol dihydrochloride (2413-38-9) → flupentixol dihydrochloride (2413-38-9)

Guidance literature:

In water; isopropyl alcohol; at 80 ℃; Heating / reflux;

Reference yield: 85.6%

2-{4-[3-(2-trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol (2709-56-0) → flupentixol dihydrochloride (2413-38-9)

Guidance literature:

With hydrogenchloride; In ethanol; at -10 - 10 ℃; pH=0 - 1;

upstream raw materials:

2-trifluoromethyl-9-allyl-9-thioxanthenol

2-{4-[3-(2-trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol

1-(2-hydroxyethyl)piperazine

(9RS)-9-[3-dimethylamino-propyl]-2-(trifluoromethyl)-9H-thioxanthene-9-ol

Refernces

• 1、 -. "Preparation containing flupentixol pharmaceutical compositions". Paragraph 0059-0061. . Retrieved 2017/10/11.
• 2、 -. "PROCESS FOR THE PREPARATION OF Z-FLUPENTIXOL". Page/Page column 14-15. . Retrieved 2010/02/11.