89617-02-7

Basic information

• Product Name: (Z)-7-[(1S,2R,5S)-3-[(E,3S)-3-hydroxyoct-1-enyl]-7-thiabicyclo[3.1.1]h ept-2-yl]hept-5-enoic acid
• Synonyms: (Z)-7-[(1S,2R,5S)-3-[(E,3S)-3-hydroxyoct-1-enyl]-7-thiabicyclo[3.1.1]h ept-2-yl]hept-5-enoic acid;(Z)-7-[(1S,2R,5S)-3β-[(S,E)-3-Hydroxy-1-octenyl]-6-thiabicyclo[3.1.1]heptan-2α-yl]-5-heptenoic acid;(Z)-7-[(1β,5β)-3β-[(1E,3S)-3-Hydroxy-1-octenyl]-6-thiabicyclo[3.1.1]heptane-2α-yl]-5-heptenoic acid;9,11-Epithio-11,12-methanothromboxane A2;ONO-11113;5-Heptenoic acid, 7-((1S,2R,4R,5S)-3-((1E,3S)-3-hydroxy-1-octenyl)-6-thiabicyclo(3.1.1)hept-2-yl)-, (5Z)-;5-Heptenoic acid, 7-(3-(3-hydroxy-1-octenyl)-6-thiabicyclo(3.1.1)hept-2-yl)-, (1S-(1alpha,2beta(Z),3alpha(1E,3R*),5alpha))-;9,11-Epithio-11,12-methano-txa2
• CAS NO: 89617-02-7
• Molecular Formula: C21H34O3S
• Molecular Weight: 366.56
• Mol File: 89617-02-7.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 532.7°C at 760 mmHg
• Flash Point: 276°C
• Appearance: /
• Density: 1.113g/cm³
• Vapor Pressure: 1.43E-13mmHg at 25°C
• Refractive Index: 1.572
• CAS DataBase Reference: (Z)-7-[(1S,2R,5S)-3-[(E,3S)-3-hydroxyoct-1-enyl]-7-thiabicyclo[3.1.1]h ept-2-yl]hept-5-enoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (Z)-7-[(1S,2R,5S)-3-[(E,3S)-3-hydroxyoct-1-enyl]-7-thiabicyclo[3.1.1]h ept-2-yl]hept-5-enoic acid(89617-02-7)
• EPA Substance Registry System: (Z)-7-[(1S,2R,5S)-3-[(E,3S)-3-hydroxyoct-1-enyl]-7-thiabicyclo[3.1.1]h ept-2-yl]hept-5-enoic acid(89617-02-7)

Safety Data

• Hazardous Substances Data: 89617-02-7(Hazardous Substances Data)

Usage

General Description

The chemical compound "(Z)-7-[(1S,2R,5S)-3-[(E,3S)-3-hydroxyoct-1-enyl]-7-thiabicyclo[3.1.1]hept-2-yl]hept-5-enoic acid" is a complex molecule with a long, chain-like structure. It contains a combination of different functional groups, including carboxylic acid, alkene, and hydroxyl groups. The compound has a stereochemistry designation of "Z", indicating the configuration of the double bond. It also contains a bicyclic structure with a thiophene ring. Overall, this compound is a unique and intricate molecule with potential applications in the fields of organic chemistry and pharmaceuticals.

InChI:InChI=1/C21H34O3S/c1-2-3-6-9-17(22)13-12-16-14-18-15-20(25-18)19(16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16?,17-,18-,19+,20-/m0/s1

Upstream product

• 78647-24-2 (Z)-7-[(1S,2R,3R,5S)-3-((E)-3-Hydroxy-oct-1-enyl)-6-thia-bicyclo[3.1.1]hept-2-yl]-hept-5-enoic acid methyl ester 
• 78647-24-2 methyl (1R*,2R*,3S*,5R*)-(Z)-3-<(S*)-(E)-3-hydroxy-1-octenyl>-6-thiabicyclo<3.1.1>heptane-2-hept-5-enoate 
• 78647-24-2 (Z)-7-[(1S,2R,3R,5S)-3-((E)-(R)-3-Hydroxy-oct-1-enyl)-6-thia-bicyclo[3.1.1]hept-2-yl]-hept-5-enoic acid methyl ester 
• 81755-82-0 (-)-11α-acetylthio-11-deoxy-11α-homoprostaglandin E₂ acetate methyl ester 
• 89617-00-5 (+)-11α-acetylthio-11-deoxy-11α-homoprostaglandin F_2β 15-acetate methyl ester 
• 89560-27-0 (3R,4R)-4-((E)-(S)-3-Acetoxy-oct-1-enyl)-3-((Z)-6-methoxycarbonyl-hex-2-enyl)-2-oxo-1-phenylselanyl-cyclohexanecarboxylic acid ethyl ester 
• 89560-31-6 (3R,4R)-4-((E)-(S)-3-Acetoxy-oct-1-enyl)-3-((Z)-6-methoxycarbonyl-hex-2-enyl)-2-oxo-6-propylsulfanyl-cyclohexanecarboxylic acid ethyl ester 
• 81755-83-1 (Z)-7-[(1R,2R,4S,6R)-2-((E)-(S)-3-Acetoxy-oct-1-enyl)-4-acetylsulfanyl-6-methanesulfonyloxy-cyclohexyl]-hept-5-enoic acid methyl ester 
• 81755-80-8 (3R,4R)-4-((E)-(S)-3-Acetoxy-oct-1-enyl)-3-((Z)-6-methoxycarbonyl-hex-2-enyl)-2-oxo-cyclohexanecarboxylic acid ethyl ester 
• 89560-26-9 (3R,4R)-4-((E)-(S)-3-Acetoxy-oct-1-enyl)-2-hydroxy-3-((Z)-6-methoxycarbonyl-hex-2-enyl)-cyclohexanecarboxylic acid ethyl ester 
• 89560-28-1 (4R,5R)-4-((E)-(S)-3-Acetoxy-oct-1-enyl)-5-((Z)-6-methoxycarbonyl-hex-2-enyl)-6-oxo-cyclohex-1-enecarboxylic acid ethyl ester 
• 81755-81-9 (+)-11a-homoprostaglandin A₂ acetate methyl ester 
• 52553-33-0 (-)-11-desoxyprostaglandin E₂ acetate methyl ester 
• 80365-96-4 methyl (1R*,2S*,4R*,6S*)-(Z)-2-acetylthio-6-<(S*)-3-acetoxy-1-octenyl>-4-hydroxycyclohexanehept-5-enoate 

Relevant articles and documents

SYNTHESIS OF THROMBOXANE A2 ANALOGS-2. (+/-)-THIATHROMBOXANE A2

The total synthesis of (+/-)-11a-methano-9,11-thiathromboxane A2(1), the sulfur analog of thromboxane A2 is described.

A CONVENIENT ROUTE TO (+)-(9,11)-EPITHIA-(11,12)-METHANO-THROMBOXANE A2 FROM PROSTAGLANDIN E2 METHYL ESTER

(+)-(9,11)-Epithia-(11,12)-methano-thromboxane A2, which is of great importance in thromboxane research, has been synthesized from prostaglandin E2 methyl ester.