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ETHYL 4-CYANOBENZOYLFORMATE, with the molecular formula C11H9NO3, is a chemical compound that serves as a versatile intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. This clear, colorless liquid exhibits a slightly sweet odor and is flammable, necessitating careful handling. As a reagent in organic chemistry, it is instrumental in the synthesis of various heterocyclic compounds and is a crucial building block in the production of pharmaceuticals and complex organic molecules.

302912-31-8

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302912-31-8 Usage

Uses

Used in Pharmaceutical Industry:
ETHYL 4-CYANOBENZOYLFORMATE is used as a key intermediate for the synthesis of various pharmaceuticals, contributing to the development of new drugs and improving the efficacy of existing ones. Its role in the production of complex organic molecules makes it an essential component in the advancement of medicinal chemistry.
Used in Agrochemical Industry:
In the agrochemical sector, ETHYL 4-CYANOBENZOYLFORMATE is utilized as a precursor in the synthesis of agrochemicals, aiding in the development of more effective and environmentally friendly pesticides and other agricultural products.
Used in Organic Chemistry Research:
ETHYL 4-CYANOBENZOYLFORMATE is employed as a reagent in various organic chemistry reactions, particularly in the synthesis of heterocyclic compounds. Its versatility in forming different chemical structures makes it a valuable tool for researchers in the field of organic chemistry.
Used in Chemical Synthesis:
As a building block in chemical synthesis, ETHYL 4-CYANOBENZOYLFORMATE is used to construct complex organic molecules, facilitating the creation of new compounds with potential applications in various industries, including pharmaceuticals, materials science, and agrochemicals.

Check Digit Verification of cas no

The CAS Registry Mumber 302912-31-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,0,2,9,1 and 2 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 302912-31:
(8*3)+(7*0)+(6*2)+(5*9)+(4*1)+(3*2)+(2*3)+(1*1)=98
98 % 10 = 8
So 302912-31-8 is a valid CAS Registry Number.
InChI:InChI=1/C11H9NO3/c1-2-15-11(14)10(13)9-5-3-8(7-12)4-6-9/h3-6H,2H2,1H3

302912-31-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 2-(4-cyanophenyl)-2-oxoacetate

1.2 Other means of identification

Product number -
Other names ethyl (4-cyanophenyl)glyoxylate

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:302912-31-8 SDS

302912-31-8Relevant academic research and scientific papers

Tris(pentafluorophenyl)borane-Catalyzed Oxygen Insertion Reaction of α-Diazoesters (α-Diazoamides) with Dimethyl Sulfoxide

Wu, Xiao-Yang,Gao, Wen-Xia,Zhou, Yun-Bing,Liu, Miao-Chang,Wu, Hua-Yue

supporting information, p. 750 - 754 (2022/01/19)

A tris(pentafluorophenyl)borane-catalyzed oxidation reaction of α-diazoesters (α-diazo amides) with dimethyl sulfoxide has been developed. The reaction proceeds under metal free conditions to afford a series α-ketoesters and α-ketoamides. The synthetic utility of this protocol is demonstrated through synthetic transformations and scaled-up synthesis. (Figure presented.).

Metal-Free Oxidative Esterification of Ketones and Potassium Xanthates: Selective Synthesis of α-Ketoesters and Esters

Luo, Xianglin,He, Runfa,Liu, Qiang,Gao, Yanping,Li, Jingqing,Chen, Xiuwen,Zhu, Zhongzhi,Huang, Yubing,Li, Yibiao

, p. 5220 - 5230 (2020/05/18)

A novel and efficient oxidative esterification for the selective synthesis of α-ketoesters and esters has been developed under metal-free conditions. In the protocol, various α-ketoesters and esters are available in high yields from commercially available ketones and potassium xanthates. Mechanistic studies have proven that potassium xanthate not only promotes oxidative esterification but also provides an alkoxy moiety for the reaction, which involves the cleavage and reconstruction of C-O bonds.

Ambient and aerobic carbon-carbon bond cleavage toward α-ketoester synthesis by transition-metal-free photocatalysis

Yu, Qing,Zhang, Yating,Wan, Jie-Ping

supporting information, p. 3436 - 3441 (2019/06/24)

The α-oxoesterification of the CC double bond in readily available enaminones enabling efficient synthesis of α-ketoesters is developed. The reactions showing general tolerance to the reactions of primary and secondary alcohols proceed well under air via Rose Bengal (RB)-based photocatalysis. Particularly, this mild synthetic method has been discovered to tolerate various polyhydroxylated substrates such as phenolic alcohol, diols and triols with an excellent selectivity of mono-oxoesterification. What is more noteworthy is that α-ketoester functionalized 16-dehydropregnenolone acetate resulting from the elaboration on a natural product has been obtained practically.

In Situ Generated AgII-Catalyzed Selective Oxo-Esterification of Alkyne with Alcohol to α-Ketoester: Photophysical Study

Laha, Radha M.,Khamarui, Saikat,Manna, Saikat K.,Maiti, Dilip K.

supporting information, p. 144 - 147 (2016/01/12)

An expert and easy one-step catalytic method for the multi O-C coupling of alkyne is developed for the synthesis of valuable α-ketoesters and their chiral analogues, in contrast to the generation of esters by a noncatalytic method. The in situ generated powerful AgII catalyst from AgOTf is the workhorse in the oxidative grafting of alkyne with PhIO and alcohol. The radical mechanism is confirmed in our controlled experiments and UV-vis study.

Reactions of organolithiums with dialkyl oxalates. A flow microreactor approach to synthesis of functionalized α-keto esters

Nagaki, Aiichiro,Ichinari, Daisuke,Yoshida, Jun-Ichi

supporting information, p. 3242 - 3244 (2013/05/08)

Reactions of functionalized aryllithiums with dialkyl oxalates were achieved using a flow microreactor to obtain α-keto esters with high selectivity by virtue of fast 1:1 micromixing.

Direct synthesis of α-keto esters from ethylbenzenes using 48% aqueous HBr by aerobic visible light photooxidation

Tada, Norihiro,Ban, Kazunori,Nobuta, Tomoya,Hirashima, Shin-Ichi,Miura, Tsuyoshi,Itoh, Akichika

experimental part, p. 1381 - 1384 (2011/07/31)

We report that ethylbenzenes can be directly oxidized to the corresponding -keto esters with molecular oxygen in the presence of 48% aqueous HBr under visible light irradiation. This synthetic procedure is the first example for direct preparation of the corresponding α-keto esters from ethylbenzenes. Georg Thieme Verlag Stuttgart - New York.

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