68399-12-2

Basic information

• Product Name: (2E,5E)-7-[(1R)-2β-[(E,R)-4-(3-Chlorophenoxy)-3-hydroxy-1-butenyl]-3α,5α-dihydroxycyclopentan-1α-yl]-2,5-heptadienoic acid methyl ester
• Synonyms: (2E,5E)-7-[(1R)-2β-[(E,R)-4-(3-Chlorophenoxy)-3-hydroxy-1-butenyl]-3α,5α-dihydroxycyclopentan-1α-yl]-2,5-heptadienoic acid methyl ester
• CAS NO: 68399-12-2
• Molecular Formula: C₂₃H₂₉ClO₆
• Molecular Weight: 436.93
• Mol File: 68399-12-2.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 592.6°C at 760 mmHg
• Flash Point: 312.2°C
• Appearance: /
• Density: 1.282g/cm³
• Vapor Pressure: 6.9E-15mmHg at 25°C
• Refractive Index: 1.611
• CAS DataBase Reference: (2E,5E)-7-[(1R)-2β-[(E,R)-4-(3-Chlorophenoxy)-3-hydroxy-1-butenyl]-3α,5α-dihydroxycyclopentan-1α-yl]-2,5-heptadienoic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: (2E,5E)-7-[(1R)-2β-[(E,R)-4-(3-Chlorophenoxy)-3-hydroxy-1-butenyl]-3α,5α-dihydroxycyclopentan-1α-yl]-2,5-heptadienoic acid methyl ester(68399-12-2)
• EPA Substance Registry System: (2E,5E)-7-[(1R)-2β-[(E,R)-4-(3-Chlorophenoxy)-3-hydroxy-1-butenyl]-3α,5α-dihydroxycyclopentan-1α-yl]-2,5-heptadienoic acid methyl ester(68399-12-2)

Safety Data

• Hazardous Substances Data: 68399-12-2(Hazardous Substances Data)

Usage

General Description

The chemical compound "(2E,5E)-7-[(1R)-2β-[(E,R)-4-(3-Chlorophenoxy)-3-hydroxy-1-butenyl]-3α,5α-dihydroxycyclopentan-1α-yl]-2,5-heptadienoic acid methyl ester" is a methyl ester derivative of a complex organic acid molecule. It contains a cyclopentane ring with hydroxyl groups and a chlorophenyl side chain. The compound also has several conjugated double bonds and a carboxylic acid functional group. This chemical structure suggests potential reactivity and biological activity, making it of interest in pharmaceutical and medicinal chemistry research. Additionally, the compound's stereochemistry and multiple chiral centers add to its complexity and potential usefulness as a synthetic target for chemical synthesis and drug discovery.

InChI:InChI=1/C23H29ClO6/c1-29-23(28)10-5-3-2-4-9-19-20(22(27)14-21(19)26)12-11-17(25)15-30-18-8-6-7-16(24)13-18/h2,4-8,10-13,17,19-22,25-27H,3,9,14-15H2,1H3/b4-2+,10-5+,12-11+/t17-,19?,20-,21?,22?/m1/s1

Upstream product

• 69222-87-3 16-(3-chlorophenoxy)-17,18,19,20-tetranor-5,6-trans-didehydroprostaglandin F_1α methyl ester 
• 56687-85-5 methyl (8R,9S,11R,12S,15S)-16-(m-chlorophenoxy)-9,11,15-trihydroxy-17,18,19,20-tetranor-5Z,13E-prostadienoate 
• 69222-86-2 (2E,5E)-7-[(1R,2R,3R,5S)-2-[(E)-(R)-4-(3-Chloro-phenoxy)-3-(tetrahydro-pyran-2-yloxy)-but-1-enyl]-3,5-bis-(tetrahydro-pyran-2-yloxy)-cyclopentyl]-hepta-2,5-dienoic acid methyl ester 
• 62559-75-5 (E)-7-[(1R,2R,3R,5S)-2-[(E)-(R)-4-(3-Chloro-phenoxy)-3-(tetrahydro-pyran-2-yloxy)-but-1-enyl]-3,5-bis-(tetrahydro-pyran-2-yloxy)-cyclopentyl]-2-phenylselanyl-hept-5-enoic acid methyl ester 
• 69222-88-4 16-(3-chlorophenoxy)-17,18,19,20-tetranor-5,6-trans-didehydroprostaglandin F_1α methyl ester 9,11,15-tris(tetrahydropyran-2-yl ether) 

Relevant articles and documents

Prostaglandin Analogues Possessing Antinidatory Effects. 2. Modification of the α Chain

Additional double bonds were introduced into the α chain in 16-phenoxy-, 16-(3-chlorophenoxy)-, 16--, and 16-(4-chlorophenoxy)-17,18,19,20-tetranorprostaglandins which have antinidatory effects.Of these analogues, the Δ3/