Dimethyl (2-oxo-6-phenylhexyl)phosphonate

Base Information

Chemical Name:Dimethyl (2-oxo-6-phenylhexyl)phosphonate
CAS No.:61263-11-4
Molecular Formula:C14H21O4P
Molecular Weight:284.292
Hs Code.:
DSSTox Substance ID:DTXSID10594086
Wikidata:Q82488812

Synonyms:61263-11-4;Dimethyl (2-oxo-6-phenylhexyl)phosphonate;1-Dimethoxyphosphoryl-6-phenyl-hexan-2-one;SCHEMBL3975163;DTXSID10594086;Phosphonic acid, (2-oxo-6-phenylhexyl)-, dimethyl ester;JQDZQCCOQPARIE-UHFFFAOYSA-N;AKOS037621248;DB-124634

Suppliers and Price of Dimethyl (2-oxo-6-phenylhexyl)phosphonate

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

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Chemical Property of Dimethyl (2-oxo-6-phenylhexyl)phosphonate

Chemical Property:

PSA：62.41000
LogP:3.45440
XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:284.11774614
Heavy Atom Count:19
Complexity:303

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COP(=O)(CC(=O)CCCCC1=CC=CC=C1)OC

Technology Process of Dimethyl (2-oxo-6-phenylhexyl)phosphonate

There total 6 articles about Dimethyl (2-oxo-6-phenylhexyl)phosphonate 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: 53.0%

: 20620-59-1
5-phenyl-n-valeric acid methyl ester

: 756-79-6
dimethyl methane phosphonate

: 61263-11-4
dimethyl (2-oxo-6-phenylhexyl)phosphonate

Guidance literature:: dimethyl methane phosphonate; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1.5h;

5-phenyl-n-valeric acid methyl ester; In tetrahydrofuran; hexane; at -10 ℃; for 5h;

Reference yield:

: 1544280-28-5
dimethyl (2-oxo-6-phenylhex-5-yn-1-yl)phosphonate

: 61263-11-4
dimethyl (2-oxo-6-phenylhexyl)phosphonate

Guidance literature:: With palladium 10% on activated carbon; hydrogen; In methanol;

Reference yield:

: 1794-48-5
1-bromo-3-phenylprop-2-yne

: 61263-11-4
dimethyl (2-oxo-6-phenylhexyl)phosphonate

Guidance literature:: Multi-step reaction with 4 steps

1.1: sodium hydride / mineral oil; tetrahydrofuran / 0.5 h / 0 °C

1.2: 1 h / 20 °C

2.1: lithium chloride / dimethyl sulfoxide; water / 160 °C

3.1: n-butyllithium / tetrahydrofuran; hexane / 0.75 h / -78 °C

3.2: 2 h

4.1: hydrogen; palladium 10% on activated carbon / methanol

With n-butyllithium; palladium 10% on activated carbon; hydrogen; sodium hydride; lithium chloride; In tetrahydrofuran; methanol; hexane; water; dimethyl sulfoxide; mineral oil;