113305-80-9

Basic information

• Product Name: 4-[4-(3-fluoro-8-isopropyl-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl]-1-(4-fluorophenyl)-1-butanone
• Synonyms: 4-[4-(3-fluoro-8-isopropyl-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl]-1-(4-fluorophenyl)-1-butanone
• CAS NO: 113305-80-9
• Molecular Formula: C₃₁H₃₄F₂N₂OS
• Molecular Weight: 520.6762664
• Mol File: 113305-80-9.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 4-[4-(3-fluoro-8-isopropyl-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl]-1-(4-fluorophenyl)-1-butanone(CAS DataBase Reference)
• NIST Chemistry Reference: 4-[4-(3-fluoro-8-isopropyl-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl]-1-(4-fluorophenyl)-1-butanone(113305-80-9)
• EPA Substance Registry System: 4-[4-(3-fluoro-8-isopropyl-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl]-1-(4-fluorophenyl)-1-butanone(113305-80-9)

Safety Data

• Hazardous Substances Data: 113305-80-9(Hazardous Substances Data)

Upstream product

• 70931-13-4 11-chloro-7-fluoro-2-isopropyl-10,11-dihydrodibenzothiepin 
• 2560-31-8 1-(4-fluorophenyl)-4-piperazinylbutanone 

Relevant articles and documents

FLUORINATED TRICYCLIC NEUROLEPTICS WITH PROLONGED ACTION: DERIVATIVES AND ANALOGUES OF 2-(4-(7-FLUORO-2-ISOPROPYL-10,11-DIHYDRODIBENZOTHIEPIN-11-YL)PIPERAZINE-1-YL)ETHANOL

The preparation of 4-fluoro-2-nitrobenzonitrile (V), an intermediate in the synthesis of the title compound I, from 4-fluoro-2-nitroaniline via 5-fluoro-2-iodonitrobenzene (VII) was elaborated.Syntheses of 1,1,1,3,3,3-hexadeutero-2-propyl (XX) and 1,3,4-trideutero (XXVIII) analogues of compound I from hexadeuteroacetone, and pentadeuterobromobenzene, respectively, were carried out.Compound I was esterified with acetic anhydride, decanoic acid and 3,4,5-trimethoxybenzoyl chloride to give the esters II-IV.Acylation of compound XXX with acetyl chloride, 4-fluorophenoxyacetyl chloride and (4-fluorophenylthio)acetyl chloride and the following reduction of the amides with lithium aluminium hydride gave compounds XXXII, XXXIX, and XL.Substitution reactions of 11-chloro-7-fluoro-2-isopropyl-10,11-dihydrodibenzothiepin with the corresponding N-monosubstituted piperazines resulted in compounds XXXIII-XXXV, XXXVII, XXXVIII, XLI and XLII.Alkylation of XXX with 2-(2-chloroethyl)-1,3-dioxolane afforded compound XXXVI.Pharmacological testing of the new compounds, derivatives and analogues of the neuroleptic agent isofloxythepin (I), for discoordinating and cataleptic activities, showed especially for compounds II, XXXIV and XXXVI very intensive and long-lasting effects.The decanoate III has properties of a depot neuroleptic agent.