2-(4-Chlorophenyl)-4-oxo-4H-1-benzopyran-8-acetonitrile

Base Information

Chemical Name:2-(4-Chlorophenyl)-4-oxo-4H-1-benzopyran-8-acetonitrile
CAS No.:101002-45-3
Molecular Formula:C₁₇H₁₀ClNO₂
Molecular Weight:295.725
Hs Code.:
DSSTox Substance ID:DTXSID801204994

Synonyms:DTXSID801204994;101002-45-3;2-(4-Chlorophenyl)-4-oxo-4H-1-benzopyran-8-acetonitrile

Suppliers and Price of 2-(4-Chlorophenyl)-4-oxo-4H-1-benzopyran-8-acetonitrile

Supply Marketing:

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

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Chemical Property of 2-(4-Chlorophenyl)-4-oxo-4H-1-benzopyran-8-acetonitrile

Chemical Property:

XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:295.0400063
Heavy Atom Count:21
Complexity:484

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=C2C(=C1)C(=O)C=C(O2)C3=CC=C(C=C3)Cl)CC#N

Technology Process of 2-(4-Chlorophenyl)-4-oxo-4H-1-benzopyran-8-acetonitrile

There total 1 articles about 2-(4-Chlorophenyl)-4-oxo-4H-1-benzopyran-8-acetonitrile 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: 57.0%

: 151-50-8
potassium cyanide

: 87165-57-9
8-Bromomethyl-2-(4-chloro-phenyl)-chromen-4-one

: 101002-45-3
[2-(4-Chloro-phenyl)-4-oxo-4H-chromen-8-yl]-acetonitrile

Guidance literature:: In ethanol; water; for 3h; Heating;

Reference yield: 54.0%

: 101002-45-3
[2-(4-Chloro-phenyl)-4-oxo-4H-chromen-8-yl]-acetonitrile

: 101002-46-4
[2-(4-Chloro-phenyl)-4-oxo-4H-chromen-8-yl]-acetic acid

Guidance literature:: With sulfuric acid; water; acetic acid; for 3.5h; Heating;

Reference yield:

: 101002-45-3
[2-(4-Chloro-phenyl)-4-oxo-4H-chromen-8-yl]-acetonitrile

: 101002-48-6
[2-(4-Chloro-phenyl)-4-oxo-4H-chromen-8-yl]-acetic acid 2-diethylamino-ethyl ester; hydrochloride

Guidance literature:: Multi-step reaction with 2 steps

1: 54 percent / cc. H₂SO₄, acetic acid, H₂O / 3.5 h / Heating

2: 1.) KOH / 1.) EtOH, 30 min; 2.) acetone, reflux, 4 h

With potassium hydroxide; sulfuric acid; water; acetic acid;