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4H-1-Benzopyran-3-carbonitrile, 4-oxo-2-phenyl-, also known as 2-phenyl-4-oxo-4H-1-benzopyran-3-carbonitrile, is a chemical compound with the molecular formula C16H9NO2. It is a derivative of benzopyran, a heterocyclic compound consisting of a benzene ring fused to a pyran ring. The molecule features a carbonitrile group (-CN) at the 3-position, a carbonyl group (C=O) at the 4-position, and a phenyl group (C6H5) at the 2-position. 4H-1-Benzopyran-3-carbonitrile, 4-oxo-2-phenyl- is often used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals, particularly those containing the benzopyran core structure. Its chemical properties and reactivity make it a valuable building block in organic synthesis, allowing for the creation of a wide range of complex molecules with potential applications in medicine and agriculture.

4198-00-9

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4198-00-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 4198-00-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,1,9 and 8 respectively; the second part has 2 digits, 0 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 4198-00:
(6*4)+(5*1)+(4*9)+(3*8)+(2*0)+(1*0)=89
89 % 10 = 9
So 4198-00-9 is a valid CAS Registry Number.

4198-00-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(α-Hydroxybenzoyl)chromone

1.2 Other means of identification

Product number -
Other names 3-(α-hydroxybenzyl)chromone

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:4198-00-9 SDS

4198-00-9Downstream Products

4198-00-9Relevant academic research and scientific papers

Construction of trisubstituted chromone skeletons carrying electron-withdrawing groups via PhIO-mediated dehydrogenation and its application to the synthesis of frutinone A

Li, Qiao,Zhuang, Chen,Wang, Donghua,Zhang, Wei,Jia, Rongxuan,Sun, Fengxia,Zhang, Yilin,Du, Yunfei

supporting information, p. 2958 - 2965 (2020/01/08)

The construction of the biologically interesting chromone skeleton was realized by PhIO-mediated dehydrogenation of chromanones under mild conditions. Interestingly, this method also found application in the synthesis of the naturally occurring frutinone A.

Facile syntheses of 2-substituted 3-cyanochromones

Levchenko,Semenova,Yarovenko,Shmelin,Krayushkin

, p. 3630 - 3632 (2012/09/22)

A simple and general route to 3-cyanochromones containing various substituents on position 2 of the ring is developed. The method is based on condensation of 3-(2-hydroxyphenyl)-3-oxopropionitrile with acid chlorides or anhydrides in pyridine at room temp

KHMDS enhanced SmI2-mediated reformatsky type α-cyanation

Ankner, Tobias,Friden-Saxin, Maria,Pemberton, Nils,Seifert, Tina,Grotli, Morten,Luthman, Kristina,Hilmersson, Goeran

supporting information; experimental part, p. 2210 - 2213 (2010/08/04)

A novel combination of SmI2, KHMDS, and TsCN can be utilized to introduce a cyano group into structurally diverse and highly sensitive 2-alkyl-chroman-4-ones. Subsequent oxidation allows the formed 2-alkyl-3-cyanochromones to be isolated in yields ranging from 49 to 77%. In addition, α-bromoketones and esters were found to undergo equally effective α-cyanation.

Synthesis of 3-cyanoflavones and their biological evaluation

Lassagne, Frederic,Bombarda, Isabelle,Dherbomez, Michel,Sinbandhit, Sourisak,Gaydou, Emil M.

, p. 787 - 799 (2007/10/03)

The synthesis, using β-bromo-α-ethylthiocinnamonitrile (1) and methyl salicylate (2), of two new series of methyl 2-(2′-cyano-2′-ethylthio-1′-phenylvinyloxy)benzoates (3), precursors of 3-cyanoflavones (4) is reported. Compounds (3) and (4) were checked a

A convenient access to 3-cyanoflavones

Lassagne, Frédéric,Pochat, Francis

, p. 9283 - 9285 (2007/10/03)

Reaction of β-bromo α-alkylthiocinnamonitriles with various substituted methyl salicylates followed by treatment with AlCl 3/PhNO2 provides 3-cyanoflavones.

Novel conversion of 3-(α-hydroxybenzyl)flavones to 3-benzoylchromones and 3-cyanoflavones with NaN3/TFA

Mallik, Asok K.,Chattopadhyay, Falguni,Dey, Sankar P.

, p. 4929 - 4931 (2007/10/03)

On treatment with NaN3/TFA, 3-(α-hydroxybenzyl)flavones are converted to 3-benzoylchromones and 3-cyanoflavones, plausible mechanisms for which have been suggested. (C) 2000 Elsevier Science Ltd.

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