methyl (Z)-7-[(1R,2R,3R)-3-(2-hydroxyethylsulfanyl)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoate

Base Information

Chemical Name:methyl (Z)-7-[(1R,2R,3R)-3-(2-hydroxyethylsulfanyl)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoate
CAS No.:74412-44-5
Molecular Formula:C₂₃H₃₈O₅S
Molecular Weight:426.618
Hs Code.:
ChEMBL ID:CHEMBL369219
Mol file:74412-44-5.mol

Synonyms:11-deoxy-11alpha-(2-hydroxyethylthio)-PGE2 methyl ester;11-deoxy-11alpha-(2-hydroxyethylthio)-prostaglandin E2 methyl ester;DHET-PGE2

Suppliers and Price of methyl (Z)-7-[(1R,2R,3R)-3-(2-hydroxyethylsulfanyl)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of methyl (Z)-7-[(1R,2R,3R)-3-(2-hydroxyethylsulfanyl)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoate

Chemical Property:

Vapor Pressure:1.09E-15mmHg at 25°C
Boiling Point:576.5°C at 760 mmHg
Flash Point:302.4°C
Density:1.1g/cm³
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:16
Exact Mass:426.24399548
Heavy Atom Count:29
Complexity:531

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)OC)SCCO)O
Isomeric SMILES:CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)OC)SCCO)O

Technology Process of methyl (Z)-7-[(1R,2R,3R)-3-(2-hydroxyethylsulfanyl)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoate

There total 12 articles about methyl (Z)-7-[(1R,2R,3R)-3-(2-hydroxyethylsulfanyl)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoate 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: 56.0%

: 31753-19-2
(5Z,13E)-15-hydroxy-9-oxoprosta 5,10,13 trien-1-oic acid

: 60-24-2
2-hydroxyethanethiol

: 74412-44-5
l-11-deoxy-11α-<(2-hydroxyethyl)thio>prostaglandin E₂ methyl ester

: 74412-44-5
l-11-deoxy-11β-<(2-hydroxyethyl)thio>prostaglandin E₂ methyl ester

Guidance literature:: With triethylamine; for 18h; Ambient temperature;
DOI:10.1021/jm00182a018

Reference yield: 56.0%

: 31753-19-2
(5Z,13E)-15-hydroxy-9-oxoprosta 5,10,13 trien-1-oic acid

: 60-24-2
2-hydroxyethanethiol

: 74412-44-5
l-11-deoxy-11α-<(2-hydroxyethyl)thio>prostaglandin E₂ methyl ester

: 74412-44-5
l-11-deoxy-11β-<(2-hydroxyethyl)thio>prostaglandin E₂ methyl ester

Guidance literature:: With triethylamine; for 18h; Ambient temperature;
DOI:10.1021/jm00182a018

Reference yield:

: (Z)-7-[(1S,2S,3S)-2-((E)-3-Hydroxy-oct-1-enyl)-5-oxo-3-(2-trimethylsilanyloxy-ethylsulfanyl)-cyclopentyl]-hept-5-enoic acid methyl ester

: 74412-44-5
dl-11-deoxy-11α-<(2-hydroxyethyl)thio>prostaglandin E₂ methyl ester

: 74412-44-5
dl-11-deoxy-11α-<(2-hydroxyethyl)thio>-15-epi-prostaglandin E₂ methyl ester

Guidance literature:: With acetic acid; In tetrahydrofuran; water; at 45 ℃; for 6h; Yield given. Yields of byproduct given;
DOI:10.1021/jm00182a018