[1-[2-(Diethylazaniumyl)ethyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate

Base Information

Chemical Name:[1-[2-(Diethylazaniumyl)ethyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate
CAS No.:5659-02-9
Molecular Formula:C22H24FN3O3
Molecular Weight:407.104
Hs Code.:
DSSTox Substance ID:DTXSID80412081

Synonyms:5659-02-9;[1-[2-(diethylazaniumyl)ethyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate;AC1NR5IC;DTXSID80412081

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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 [1-[2-(Diethylazaniumyl)ethyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate

Chemical Property:

Vapor Pressure:3.26E-13mmHg at 25°C
Boiling Point:556.4°Cat760mmHg
Flash Point:290.3°C
Density:1.266g/cm³
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:397.18016980
Heavy Atom Count:29
Complexity:627

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC[NH+](CC)CCN1C(C(=C(C2=CC=C(C=C2)F)[O-])C(=O)C1=O)C3=CN=CC=C3

Technology Process of [1-[2-(Diethylazaniumyl)ethyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate

There total 2 articles about [1-[2-(Diethylazaniumyl)ethyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate 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:

: 59661-86-8
2-phenylquinoline-4-carbonyl chloride

: 18107-18-1
diazomethyl-trimethyl-silane

: 5659-02-9
2-bromo-1-(2-phenyl-4-quinolinyl)ethanone hydrobromide

Guidance literature:: 2-phenylquinoline-4-carbonyl chloride; diazomethyl-trimethyl-silane; In tetrahydrofuran; hexane; at 0 ℃; for 5h;

With hydrogen bromide; In tetrahydrofuran; hexane; water; at 20 ℃; for 16h;
DOI:10.1016/j.bmc.2011.04.042

Reference yield:

: 132-60-5
cinchophen

: 5659-02-9
2-bromo-1-(2-phenyl-4-quinolinyl)ethanone hydrobromide

Guidance literature:: Multi-step reaction with 2 steps

1.1: thionyl chloride; N,N-dimethyl-formamide / 3 h / 40 °C

2.1: tetrahydrofuran; hexane / 5 h / 0 °C

2.2: 16 h / 20 °C

With thionyl chloride; N,N-dimethyl-formamide; In tetrahydrofuran; hexane;
DOI:10.1016/j.bmc.2011.04.042