2H-Pyran-3-carbonitrile, 2-oxo-6-phenyl-4-(1-pyrrolidinyl)-

Base Information

Chemical Name:2H-Pyran-3-carbonitrile, 2-oxo-6-phenyl-4-(1-pyrrolidinyl)-
CAS No.:454703-31-2
Molecular Formula:C16H14N2O2
Molecular Weight:266.299
Hs Code.:
DSSTox Substance ID:DTXSID60456302
Nikkaji Number:J1.713.360H
Wikidata:Q82278679
Mol file:454703-31-2.mol

Synonyms:454703-31-2;2H-Pyran-3-carbonitrile, 2-oxo-6-phenyl-4-(1-pyrrolidinyl)-;2-oxo-6-phenyl-4-pyrrolidin-1-ylpyran-3-carbonitrile;2-oxo-6-phenyl-4-(pyrrolidin-1-yl)-2H-pyran-3-carbonitrile;SCHEMBL2404335;DTXSID60456302;2-oxo-6-phenyl-4-(1-pyrrolidinyl)-2H-pyran-3-carbonitrile;3-Cyano-4-pyrrolizino-6-phenyl-2H-pyran-2-one;AT-417/43484873

Suppliers and Price of 2H-Pyran-3-carbonitrile, 2-oxo-6-phenyl-4-(1-pyrrolidinyl)-

Supply Marketing:

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

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Chemical Property of 2H-Pyran-3-carbonitrile, 2-oxo-6-phenyl-4-(1-pyrrolidinyl)-

Chemical Property:

PSA：57.24000
LogP:2.84368
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:266.105527694
Heavy Atom Count:20
Complexity:512

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CCN(C1)C2=C(C(=O)OC(=C2)C3=CC=CC=C3)C#N

Technology Process of 2H-Pyran-3-carbonitrile, 2-oxo-6-phenyl-4-(1-pyrrolidinyl)-

There total 3 articles about 2H-Pyran-3-carbonitrile, 2-oxo-6-phenyl-4-(1-pyrrolidinyl)- 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%

: 123-75-1
pyrrolidine

: 61380-85-6
6-phenyl-3-cyano-4-methylsulfanyl-2H-pyran-2-one

: 454703-31-2
6-phenyl-4-(pyrrolidin-1-yl)-2H-pyran-2-one-3-carbonitrile

Guidance literature:: Heating;
DOI:10.1021/jo0204496

Reference yield: 52.0%

: 123-75-1
pyrrolidine

: 61380-85-6
6-phenyl-3-cyano-4-methylsulfanyl-2H-pyran-2-one

: 932022-22-5
3-methylthio-5-phenyl-5-pyrrolidino-penta-2,4-dienenitrile

: 454703-31-2
6-phenyl-4-(pyrrolidin-1-yl)-2H-pyran-2-one-3-carbonitrile

Guidance literature:: at 150 - 200 ℃;
DOI:10.1002/jhet.5570440120

Reference yield:

: 98-86-2
acetophenone

: 454703-31-2
6-phenyl-4-(pyrrolidin-1-yl)-2H-pyran-2-one-3-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: potassium hydroxide / N,N-dimethyl-formamide

2: methanol / Reflux

With potassium hydroxide; In methanol; N,N-dimethyl-formamide;
DOI:10.1002/jhet.1712