methyl (7E)-7-[(2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-ylidene]heptanoate

Base Information

• Chemical Name: methyl (7E)-7-[(2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-ylidene]heptanoate
• CAS No.: 92711-55-2
• Molecular Formula: C21H32 O4
• Molecular Weight: 348.483
• ChEMBL ID: CHEMBL104747
• Mol file: 92711-55-2.mol

Synonyms:9-oxo-15-hydroxy-delta 7,10,13-prostatrienoic acid methyl ester;delta 7-PGA1;delta(7)-PGA(1) methyl ester

Chemical Property of methyl (7E)-7-[(2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-ylidene]heptanoate

Chemical Property:

• Vapor Pressure: 2.06E-11mmHg at 25°C
• Boiling Point: 484.3°Cat760mmHg
• Flash Point: 160.8°C
• PSA: 63.60000
• Density: 1.107g/cm³
• LogP: 4.28880
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 348.23005950
• Heavy Atom Count: 25
• Complexity: 502

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(C=CC1C=CC(=O)C1=CCCCCCC(=O)OC)O
• Isomeric SMILES: CCCCC[C@@H](/C=C/[C@H]\1C=CC(=O)/C1=C/CCCCCC(=O)OC)O

Technology Process of methyl (7E)-7-[(2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-ylidene]heptanoate

There total 6 articles about methyl (7E)-7-[(2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-ylidene]heptanoate 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:

7-[(2R,3R)-3-(2-Hydroxy-ethylsulfanyl)-2-((E)-(S)-3-hydroxy-oct-1-enyl)-5-oxo-cyclopent-(E)-ylidene]-heptanoic acid methyl ester → NEPP-1 (92711-55-2) + 2-hydroxyethanethiol (60-24-2)

Guidance literature:

With deuterio phosphate buffer; In d⁽⁴⁾-methanol; at 25 ℃; pH=7.4; Equilibrium constant;

DOI:10.1021/ja9628359

Reference yield:

10,11-dihydro-11α-glutathion-S-yl-Δ7-prostaglandin A1 methyl ester → GLUTATHIONE (70-18-8) + NEPP-1 (92711-55-2)

Guidance literature:

With deuterio phosphate buffer; In d⁽⁴⁾-methanol; at 25 ℃; pH=7.4; Equilibrium constant;

DOI:10.1021/ja9628359

Reference yield:

7-[(2R,3R)-2-((E)-(S)-3-Hydroxy-oct-1-enyl)-3-methylsulfanyl-5-oxo-cyclopent-(E)-ylidene]-heptanoic acid methyl ester (188253-83-0) → methylthiol (74-93-1) + NEPP-1 (92711-55-2)

Guidance literature:

With deuterio phosphate buffer; In d⁽⁴⁾-methanol; at 25 ℃; pH=7.4; Equilibrium constant;

DOI:10.1021/ja9628359

upstream raw materials:

7-[(2R,3R)-2-((E)-(S)-3-Hydroxy-oct-1-enyl)-3-methylsulfanyl-5-oxo-cyclopent-(E)-ylidene]-heptanoic acid methyl ester

Refernces