70931-18-9

Basic information

• Product Name: 4-[3-fluoro-10,11-dihydro-8-isopropyldibenzo[b,f]thiepin-10-yl]piperazine-1-ethanol
• Synonyms: 4-[3-fluoro-10,11-dihydro-8-isopropyldibenzo[b,f]thiepin-10-yl]piperazine-1-ethanol;isofloxythepin;4-(3-Fluoro-10,11-dihydro-8-isopropyldibenzo[b,f]thiepin-10-yl)-1-piperazineethanol;VUFB-10662;2-[4-(3-fluoro-8-isopropyl-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl]ethanol
• CAS NO: 70931-18-9
• Molecular Formula: C₂₃H₂₉FN₂OS
• Molecular Weight: 400.5525632
• EINECS: 275-028-1
• Mol File: 70931-18-9.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 497.9°C at 760 mmHg
• Flash Point: 254.9°C
• Appearance: /
• Density: 1.196g/cm³
• Vapor Pressure: 9.84E-11mmHg at 25°C
• Refractive Index: 1.604
• CAS DataBase Reference: 4-[3-fluoro-10,11-dihydro-8-isopropyldibenzo[b,f]thiepin-10-yl]piperazine-1-ethanol(CAS DataBase Reference)
• NIST Chemistry Reference: 4-[3-fluoro-10,11-dihydro-8-isopropyldibenzo[b,f]thiepin-10-yl]piperazine-1-ethanol(70931-18-9)
• EPA Substance Registry System: 4-[3-fluoro-10,11-dihydro-8-isopropyldibenzo[b,f]thiepin-10-yl]piperazine-1-ethanol(70931-18-9)

Safety Data

• Hazardous Substances Data: 70931-18-9(Hazardous Substances Data)

Usage

Description

4-[3-fluoro-10,11-dihydro-8-isopropyldibenzo[b,f]thiepin-10-yl]piperazine-1-ethanol is a complex organic compound that features a piperazine ring and a dibenzo[b,f]thiepin ring system. It is characterized by the presence of a fluoro group, an isopropyl group, and an ethanol moiety. This chemical structure suggests potential pharmaceutical applications, given that piperazine and fluorine-containing compounds are often found in bioactive substances and medications.

Uses

Used in Pharmaceutical Industry:
4-[3-fluoro-10,11-dihydro-8-isopropyldibenzo[b,f]thiepin-10-yl]piperazine-1-ethanol is used as a potential pharmaceutical agent due to its complex structure that includes bioactive motifs such as the piperazine ring and fluorine atom. These features are commonly associated with compounds that exhibit a range of biological activities, making it a candidate for further research into its pharmacological properties and possible applications in medicine.
Further studies may be necessary to explore the specific pharmacological actions of this compound and to determine its suitability for use in the development of new drugs or therapeutic agents.

InChI:InChI=1/C23H29FN2OS/c1-16(2)17-4-6-22-20(13-17)21(26-9-7-25(8-10-26)11-12-27)14-18-3-5-19(24)15-23(18)28-22/h3-6,13,15-16,21,27H,7-12,14H2,1-2H3

Upstream product

• 103-76-4 1-(2-hydroxyethyl)piperazine 
• 70931-13-4 11-chloro-7-fluoro-2-isopropyl-10,11-dihydrodibenzothiepin 
• 104870-07-7 2-(4-(7-fluoro-2-(2-propyl)dibenzothiepin-11-yl)-1-piperazinyl)ethanol 
• 70931-16-7 3-fluoro-8-(2-propyl)dibenzothiepin-10(11H)-one 
• 16175-12-5 8-(methylthio)-10,11-dihydrodibenzo[b,f]thiepin-10-ol 
• 627-30-5 1-chloro-3-hydroxypropane 

Downstream Products

• 70931-55-4 2-(4-(7-fluoro-2-isopropyl-10,11-dihydrodibenzothiepin-10-yl)piperazine-1-yl)ethyl 3,4,5-trimethoxybenzoate 
• 63186-66-3 2-(4-decanoylpiperazine-1-yl)ethyl decanoate 

Relevant articles and documents

TRICYCLIC NEUROLEPTICS: SYNTHESIS OF METABOLITES OF ISOFLOXYTHEPIN AND SOME RELATED COMPOUNDS

The isofloxythepin(I) metabolite IV was synthesized via the acids IX and XI and the esters X and XII.The enamine VIII was prepared from 3-fluoro-8-(2-propyl)dibenzothiepin-10(11H)-one by two methods and was reduced to I.Cloflumide (II) was obtained by reaction of 2,10-dichloro-7-fluoro-10,11-dihydrodibenzothiepin with 3-(1-piperazinyl)propionamide and was oxidized to the sulfoxide XVI.The unsaturated analogue XVII of clopithepin (III) was prepared from 2-chlorodibenzothiepin-10(11H)-one by reaction with 2-bromoethanol in the presence of 4-toluenesulfonic acid in boiling benzene and by the following substitution reaction with 2-(1-piperazinyl)ethanol.An improved synthesis of 6-methyldibenzothiepin-10(11H)-one (XIX) was elaborated.The acid XXVII was synthesized and cyclized with polyphosphate ester.A mixture of compounds was formed from which the ketone XXXVI was isolated and processed by reaction with formamide and formic acid at 200 deg C.One of the products was characterized as the formamide XXXIII and was reduced with lithium aluminium hydride to a basic product supposed to be XXXIV.A series of by-products was isolated and characterized.The enamine VIII (VUFB-17156) was found to be a strong neuroleptic agent, similar to isofloxythepin (I).The enol ether XVII (VUFB-17733) was characterized as a mild, practically noncataleptic neuroleptic agent.

3 Fluoro-10-piperazino-8-substituted 10,11-dihydrodibenzo-(bf) thiepins and method for the preparation thereof

Techniques for the preparation of 3-fluoro-10-piperazino-8-substituted 10,11-dihydrodibenzo-(b,f) thiepins and their addition salts with organic and inorganic acids are disclosed. The described compositions evidence psychotropic activity and low toxicity and are characterized as neuroliptics with a high degree of cataleptic, anti-apomorphine and central depressant action.