Acetic acid, (((2S,3R,4E,6E,10E,12S)-13-(4-fluorophenoxy)-2,3,12-trihydroxy-4,6,10-tridecatrien-8-ynyl)oxy)-

Base Information

Chemical Name:Acetic acid, (((2S,3R,4E,6E,10E,12S)-13-(4-fluorophenoxy)-2,3,12-trihydroxy-4,6,10-tridecatrien-8-ynyl)oxy)-
CAS No.:524714-13-4
Molecular Formula:C₂₁H₂₃FO₇
Molecular Weight:406.408
Hs Code.:
ChEMBL ID:CHEMBL2079542

Synonyms:ZK 142;524714-13-4;Acetic acid, (((2S,3R,4E,6E,10E,12S)-13-(4-fluorophenoxy)-2,3,12-trihydroxy-4,6,10-tridecatrien-8-ynyl)oxy)-;ZK-994;SCHEMBL815089;SCHEMBL1398014;CHEMBL2079542;HLADOSSHOHRFMH-ZXOMLLCBSA-N;(5S,6R,7E,9E,13E,15S)-16-(4-fluorophenoxy)-5,6,15-trihydroxy-3-oxahexadeca-7,9,13-trien-11-ynoic acid;2-((2S,3R,4E,6E,10E,12S)-13-(4-fluorophenoxy)-2,3,12-trihydroxytrideca-4,6,10-trien-8-ynyloxy)acetic acid

Suppliers and Price of Acetic acid, (((2S,3R,4E,6E,10E,12S)-13-(4-fluorophenoxy)-2,3,12-trihydroxy-4,6,10-tridecatrien-8-ynyl)oxy)-

Supply Marketing:

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

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Chemical Property of Acetic acid, (((2S,3R,4E,6E,10E,12S)-13-(4-fluorophenoxy)-2,3,12-trihydroxy-4,6,10-tridecatrien-8-ynyl)oxy)-

Chemical Property:

XLogP3:1.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:11
Exact Mass:406.14278123
Heavy Atom Count:29
Complexity:623

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1OCC(C=CC#CC=CC=CC(C(COCC(=O)O)O)O)O)F
Isomeric SMILES:C1=CC(=CC=C1OC[C@H](/C=C/C#C/C=C/C=C/[C@H]([C@H](COCC(=O)O)O)O)O)F

Technology Process of Acetic acid, (((2S,3R,4E,6E,10E,12S)-13-(4-fluorophenoxy)-2,3,12-trihydroxy-4,6,10-tridecatrien-8-ynyl)oxy)-

There total 10 articles about Acetic acid, (((2S,3R,4E,6E,10E,12S)-13-(4-fluorophenoxy)-2,3,12-trihydroxy-4,6,10-tridecatrien-8-ynyl)oxy)- 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: 68.0%

: 524714-15-6
(5S,6R,7E,9E,13E,15S)-16-(4-fluorophenoxy)-5,6,15-trihydroxy-3-oxahexadeca-7,9,13-trien-11-ynoic acid, t-butyl ester

: 524714-13-4
2-(((2S,3R,4E,6E,10E,12S)-13-(4-fluorophenoxy)-2,3,12-trihydroxytrideca-4,6,10-trien-8-yn-1-yl)oxy)acetic acid

Guidance literature:: With sodium hydroxide; In methanol; for 1h;
DOI:10.1021/jm030569l

Reference yield:

: 524714-12-3
methyl (5S,6R,7E,9E,13E,15S)-16-(4-fluorophenoxy)-3-oxa-5,6,15-trihydroxy-7,9,13-hexadecatrien-11-ynoate

: potassium phosphate

: 524714-13-4
2-(((2S,3R,4E,6E,10E,12S)-13-(4-fluorophenoxy)-2,3,12-trihydroxytrideca-4,6,10-trien-8-yn-1-yl)oxy)acetic acid

Guidance literature:: With sodium hydroxide; In methanol; water;

Reference yield:

: 524714-06-5
(1E,3S)-1-bromo-4-(4-fluorophenoxy)-3-hydroxy-1-butene

: 524714-13-4
2-(((2S,3R,4E,6E,10E,12S)-13-(4-fluorophenoxy)-2,3,12-trihydroxytrideca-4,6,10-trien-8-yn-1-yl)oxy)acetic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 50 percent / tetrakistriphenylphosphine-Pd⁽⁰⁾; CuI; diethylamine / tetrahydrofuran / 2 h

2: 58 percent / AcOH / ethyl acetate / 20 h / 55 °C

3: 68 percent / aq. NaOH / methanol / 1 h

With sodium hydroxide; copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; acetic acid; diethylamine; In tetrahydrofuran; methanol; ethyl acetate; 1: Sonogashira coupling;
DOI:10.1021/jm030569l