Prost-13-en-1-oic acid, 15-hydroxy-15-methyl-9-oxo-, (13E)-

Base Information

Chemical Name:Prost-13-en-1-oic acid, 15-hydroxy-15-methyl-9-oxo-, (13E)-
CAS No.:51953-95-8
Molecular Formula:C21H36O4
Molecular Weight:352.51
Hs Code.:
UNII:W3G873MK03
DSSTox Substance ID:DTXSID501023715
Wikidata:Q27292255
NCI Thesaurus Code:C74370
Mol file:51953-95-8.mol

Synonyms:Doxaprost;51953-95-8;Doxaprost [USAN:INN];UNII-W3G873MK03;W3G873MK03;AY 24559;AY-24,559;Prost-13-en-1-oic acid, 15-hydroxy-15-methyl-9-oxo-, (13E);(13E)-15-Hydroxy-15-methyl-9-oxo-13-prostensaeure;Prost-13-en-1-oic acid, 15-hydroxy-15-methyl-9-oxo-, (13E)-;(1R*,2R*)-2-((E)-3-Hydroxy-3-methyl-1-octenyl)-5-oxocyclopentaneheptanoic acid;(1R*,2R*)-2-((E)-3-Hydroxy-3-methyl-1-octenyl)-5-oxocyclopentanheptansaeure;AY-24559;DOXAPROST [INN];Doxaprost (USAN/INN);DOXAPROST [USAN];DTXSID501023715;D03897;Q27292255;(1R*,2R*)-2-(E)-3-HYDROXY-3-METHYL-1-OCTENYL-5-OXOCYCLOPENTANEHEPTANOIC ACID;7-[(1R,2R)-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid;Prost-13-en-1-oic acid, 15-hydroxy-15-methyl-9-oxo-, (13E,15S)-(.+.)-

Suppliers and Price of Prost-13-en-1-oic acid, 15-hydroxy-15-methyl-9-oxo-, (13E)-

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

American Custom Chemicals Corporation
DOXAPROST 95.00%
5MG
$ 498.30

Total 4 raw suppliers

Chemical Property of Prost-13-en-1-oic acid, 15-hydroxy-15-methyl-9-oxo-, (13E)-

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:515.887°C at 760 mmHg
Flash Point:279.883°C
PSA：74.60000
Density:1.06g/cm³
LogP:4.89440
XLogP3:4.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:13
Exact Mass:352.26135963
Heavy Atom Count:25
Complexity:443

Purity/Quality:

99% ^*data from raw suppliers

DOXAPROST 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCC(C)(C=CC1CCC(=O)C1CCCCCCC(=O)O)O
Isomeric SMILES:CCCCC[C@@](C)(/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O)O
Uses Bronchodilator.

Technology Process of Prost-13-en-1-oic acid, 15-hydroxy-15-methyl-9-oxo-, (13E)-

There total 7 articles about Prost-13-en-1-oic acid, 15-hydroxy-15-methyl-9-oxo-, (13E)- 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:

: 57403-09-5,57403-10-8
7-[(1S,2S)-2-((E)-3-Hydroxy-3-methyl-oct-1-enyl)-5-oxo-cyclopentyl]-heptanoic acid ethyl ester

: 51953-95-8,53711-32-3,54382-27-3,54382-28-4,55332-96-2,60895-05-8,93379-80-7
7-[(1S,2S)-2-((E)-3-Hydroxy-3-methyl-oct-1-enyl)-5-oxo-cyclopentyl]-heptanoic acid

Guidance literature:: With methanol; potassium hydroxide;
DOI:10.1021/jm00222a003

Reference yield:

: 39178-64-8
(E)-1-iodo-1-octen-3-one

: 51953-95-8,53711-32-3,54382-27-3,54382-28-4,55332-96-2,60895-05-8,93379-80-7
7-[(1S,2S)-2-((E)-3-Hydroxy-3-methyl-oct-1-enyl)-5-oxo-cyclopentyl]-heptanoic acid

Guidance literature:: Multi-step reaction with 4 steps

2: imidazole

4: aq. KOH, MeOH

With 1H-imidazole; methanol; potassium hydroxide;
DOI:10.1021/jm00222a003