(Z)-7-[(1R,2R,3S,5S)-2-[(E)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid

Base Information

• Chemical Name: (Z)-7-[(1R,2R,3S,5S)-2-[(E)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
• CAS No.: 40665-93-8
• Molecular Formula: C₂₂H₂₉ClO₆
• Molecular Weight: 424.922

Synonyms:16-(3-chlorophenoxy)-17,18,19,20-tetranorprostaglandin F2 alpha;16-CPOTN-PGF2 alpha

Chemical Property of (Z)-7-[(1R,2R,3S,5S)-2-[(E)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid

Chemical Property:

• Vapor Pressure: 1.23E-16mmHg at 25°C
• Boiling Point: 628°Cat760mmHg
• PKA: 4.76±0.10(Predicted)
• Flash Point: 333.6°C
• PSA: 107.22000
• Density: 1.321g/cm³
• LogP: 3.19500
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 424.1652663
• Heavy Atom Count: 29
• Complexity: 551

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(C(C1O)C=CC(COC2=CC(=CC=C2)Cl)O)CC=CCCCC(=O)O)O
• Isomeric SMILES: C1[C@@H]([C@@H]([C@H]([C@H]1O)/C=C/C(COC2=CC(=CC=C2)Cl)O)C/C=C\CCCC(=O)O)O

Technology Process of (Z)-7-[(1R,2R,3S,5S)-2-[(E)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid

There total 10 articles about (Z)-7-[(1R,2R,3S,5S)-2-[(E)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid 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:

4-((E)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl)-5-((Z)-7-isopropoxy-7-oxohept-2-enyl)cyclopentane-1,3-diyl dibenzoate → cloprostenol (40665-92-7,40665-93-8,54276-21-0,54276-22-1,54324-21-9,54324-22-0,54383-10-7,57759-74-7,57759-75-8,57968-81-7,59685-86-8,59685-88-0,72029-43-7,72029-46-0,123750-37-8) + 16-(m-chlorophenoxy)-9α,11α,15β-trihydroxy-17,18,19,20-tetranor-5-cis-13-trans-prostadienoic acid (40665-92-7,40665-93-8,54276-21-0,54276-22-1,54324-21-9,54324-22-0,54383-10-7,57759-74-7,57759-75-8,57968-81-7,59685-86-8,59685-88-0,72029-43-7,72029-46-0,123750-37-8)

Guidance literature:

With potassium carbonate; In methanol; at 25 ℃; for 5h; Inert atmosphere;

DOI:10.2174/157017811795371485

Reference yield:

4-((E)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl)-5-((Z)-7-isopropoxy-7-oxohept-2-enyl)cyclopentane-1,3-diyl dibenzoate → cloprostenol (40665-92-7,40665-93-8,54276-21-0,54276-22-1,54324-21-9,54324-22-0,54383-10-7,57759-74-7,57759-75-8,57968-81-7,59685-86-8,59685-88-0,72029-43-7,72029-46-0,123750-37-8) + 16-(m-chlorophenoxy)-9α,11α,15β-trihydroxy-17,18,19,20-tetranor-5-cis-13-trans-prostadienoic acid (40665-92-7,40665-93-8,54276-21-0,54276-22-1,54324-21-9,54324-22-0,54383-10-7,57759-74-7,57759-75-8,57968-81-7,59685-86-8,59685-88-0,72029-43-7,72029-46-0,123750-37-8)

Guidance literature:

With potassium carbonate; In methanol; at 25 ℃; for 5h; Inert atmosphere;

DOI:10.2174/157017811795371485

Reference yield:

[3aα,4α(E),5β,6aα]-(+/-)-4-[4-(3-chlorophenoxy)-3-oxo-1-butenyl]-hexahydro-5-hydroxy-2H-cyclopenta[b]-furan-2-one (53872-62-1,67738-67-4,79356-61-9) + 4-carboxybutyliden triphenylphosphorane sodium (41723-91-5) → cloprostenol (40665-92-7,40665-93-8,54276-21-0,54276-22-1,54324-21-9,54324-22-0,54383-10-7,57759-74-7,57759-75-8,57968-81-7,59685-86-8,59685-88-0,72029-43-7,72029-46-0,123750-37-8) + 16-(m-chlorophenoxy)-9α,11α,15β-trihydroxy-17,18,19,20-tetranor-5-cis-13-trans-prostadienoic acid (40665-92-7,40665-93-8,54276-21-0,54276-22-1,54324-21-9,54324-22-0,54383-10-7,57759-74-7,57759-75-8,57968-81-7,59685-86-8,59685-88-0,72029-43-7,72029-46-0,123750-37-8)

Guidance literature:

With triisobutylaluminum; diisobutylaluminium hydride; Yield given. Multistep reaction;

upstream raw materials:

[3aα,4α(E),5β,6aα]-(+/-)-4-[4-(3-chlorophenoxy)-3-oxo-1-butenyl]-hexahydro-5-hydroxy-2H-cyclopenta[b]-furan-2-one

4-carboxybutyliden triphenylphosphorane sodium

Downstream raw materials:

cloprostenol

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