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3-Oxo-2,3-diphenylpropanenitrile, also known as 2,3-diphenyl-3-oxopropanenitrile, is an organic compound with the chemical formula C17H13NO. It is a derivative of benzonitrile, characterized by the presence of two phenyl rings attached to a 3-oxopropanoyl group. 3-Oxo-2,3-diphenylpropanenitrile is a white crystalline solid and is used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals. It is known for its reactivity in chemical transformations, such as the Knoevenagel condensation, which can lead to the formation of diverse chemical structures. Due to its potential applications in the production of drugs and other chemicals, 3-Oxo-2,3-diphenylpropanenitrile is an important compound in the field of organic chemistry.

5415-07-6

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5415-07-6 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 5415-07-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,4,1 and 5 respectively; the second part has 2 digits, 0 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 5415-07:
(6*5)+(5*4)+(4*1)+(3*5)+(2*0)+(1*7)=76
76 % 10 = 6
So 5415-07-6 is a valid CAS Registry Number.
InChI:InChI=1/C15H11NO/c16-11-14(12-7-3-1-4-8-12)15(17)13-9-5-2-6-10-13/h1-10,14H

5415-07-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-oxo-2,3-diphenylpropanenitrile

1.2 Other means of identification

Product number -
Other names ACETONITRILE,BENZOYLPHENYL

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:5415-07-6 SDS

5415-07-6Relevant academic research and scientific papers

Asymmetric Transfer Hydrogenation of α-Substituted-β-Keto Carbonitriles via Dynamic Kinetic Resolution

Wang, Fangyuan,Yang, Tilong,Wu, Ting,Zheng, Long-Sheng,Yin, Congcong,Shi, Yongjie,Ye, Xiang-Yu,Chen, Gen-Qiang,Zhang, Xumu

supporting information, p. 2477 - 2483 (2021/02/16)

A catalytic protocol for the enantio- and diastereoselective reduction of α-substituted-β-keto carbonitriles is described. The reaction involves a DKR-ATH process with the simultaneous construction of β-hydroxy carbonitrile scaffolds with two contiguous stereogenic centers. A wide range of α-substituted-β-keto carbonitriles were obtained in high yields (94%-98%) and excellent enantio- and diastereoselectivities (up to >99% ee, up to >99:1 dr). The origin of the diastereoselectivity was also rationalized by DFT calculations. Furthermore, this methodology offers rapid access to the pharmaceutical intermediates of Ipenoxazone and Tapentadol.

Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion

Konteatis, Zenon,Travins, Jeremy,Gross, Stefan,Marjon, Katya,Barnett, Amelia,Mandley, Everton,Nicolay, Brandon,Nagaraja, Raj,Chen, Yue,Sun, Yabo,Liu, Zhixiao,Yu, Jie,Ye, Zhixiong,Jiang, Fan,Wei, Wentao,Fang, Cheng,Gao, Yi,Kalev, Peter,Hyer, Marc L.,Delabarre, Byron,Jin, Lei,Padyana, Anil K.,Dang, Lenny,Murtie, Joshua,Biller, Scott A.,Sui, Zhihua,Marks, Kevin M.

supporting information, p. 4430 - 4449 (2021/05/06)

The metabolic enzyme methionine adenosyltransferase 2A (MAT2A) was recently implicated as a synthetic lethal target in cancers with deletion of the methylthioadenosine phosphorylase (MTAP) gene, which is adjacent to the CDKN2A tumor suppressor and codelet

INHIBITORS OF CELLULAR METABOLIC PROCESSES

-

Page/Page column 175, (2018/03/25)

The invention provides inhibitor compounds of MAT2A that are useful as therapeutic agents for treating malignancies wherein the compounds have the general formula (I) : wherein ring A, ring B, ring C and, R1 are as described herein.

Electrophilic Cyanation of Boron Enolates: Efficient Access to Various β-Ketonitrile Derivatives

Kiyokawa, Kensuke,Nagata, Takaya,Minakata, Satoshi

supporting information, p. 10458 - 10462 (2016/08/24)

The highly efficient electrophilic cyanation of boron enolates using readily available cyanating reagents, N-cyano-N-phenyl-p-toluenesulfonamide (NCTS) and p-toluenesulfonyl cyanide (TsCN), is reported. Various β-ketonitriles were prepared by this new protocol, which has a remarkably broad substrate scope compared to existing methods. The present method also allowed efficient synthesis of β-ketonitriles containing a quaternary α-carbon center. In addition, a preliminary result with the use of a chiral boron enolate for the enantioselective cyanation reaction is described.

Synthesis of β-ketonitriles, α,β-alkynones and biscabinols from esters using tert-butoxide-assisted C(=O)-C (i.e., acyl-C) coupling under ambient conditions

Kim, Bo Ram,Lee, Hyung-Geun,Kang, Seung-Beom,Jung, Kwang-Ju,Sung, Gi Hyeon,Kim, Jeum-Jong,Lee, Sang-Gyeong,Yoon, Yong-Jin

, p. 10331 - 10336 (2013/11/19)

We demonstrated the synthesis of β-ketonitriles, α,β- alkynones, and biscarbinols using tert-butoxide-assisted C(CO)-C (i.e., acyl-C) coupling of esters under ambient conditions. tert-Butoxide-assisted C(CO)-C (i.e., acyl-C) coupling of esters with cyanomethylenes and acetylenes under transition metal-free ambient conditions gives β-ketonitriles, α,β-alkynones and/or aryl bis(phenylethynyl)carbinols in moderate-to-good yields. It is noteworthy that this is a rapid, facile, and efficient process under ambient conditions, and use of cheap and stable starting materials.

Studies in N-amino-3-aza Cope rearrangements

Glória, Paulo M.C.,Prabhakar, Sundaresan,Lobo, Ana M.

scheme or table, p. 7355 - 7357 (2009/05/07)

The first examples of a N-amino-3-aza Cope rearrangement as well as the first N-amino-anion 3-aza Cope rearrangement are reported. These occur in good to excellent yields and in short reaction times.

Dynamic kinetic resolution in the asymmetrie synthesis of β-amino acids by organocatalytic reduction of enamines with trichlorosilane

Malkov, Andrei V.,Stoncius, Sigitas,Vrankova, Kvetoslava,Arndt, Matthias,Kocovsky, Pavel

supporting information; experimental part, p. 8082 - 8085 (2009/09/29)

A new methodology based on the organocatalytic asymmetric hydrosilylation of enamines that allows a direct access to a range of β3 and β2.3-amino acid derivatives was presented. The results show a successful reduction of aromatic substrates, a sterically more hindered ortho-substituted derivatives, and the thiophenyl analogue exhibiting lower reactivity. Fast enamine-imine equilibration is crucial as imines are chiral but racemic, while α-alkyl β-amino acids can be accessed by the symmetrical Mannich reaction. The α-alkyl derivatives have relative and absolute configuration due to their reduction with LiAlH4 into a known amino alcohols. Predominant formation of the anti isomer in 3o is consistent with conformation of the imine intermediate in the catalytic reduction.

A high-yielding preparation of β-ketonitriles

Ji, Yaohui,Trenkle, William C.,Vowles, James V.

, p. 1161 - 1163 (2007/10/03)

β-Ketonitriles are important precursors for a wide variety of biologically active heterocycles. A facile procedure for the high-yielding acylation of nitrite anions with unactivated esters to provide β-ketonitriles is reported. The procedure is successful with enolizable and nonenolizable esters as well as hindered nitrile anions.

Facile one-pot synthesis of 2-aryl-substituted nitriles and 2-aryl-3-keto nitriles via benzyne reaction

Kamila, Sukanta,Koh, Benjamin,Biehl, Edward R.

, p. 3493 - 3507 (2007/10/03)

2-Aryl-substituted nitriles were prepared in good to excellent yields in a one-pot reaction by the reaction of benzyne, generated using neutral conditions from (phenyl)[o-(trimethylsilyl)-phenyl]iodonium triflate, and 2-lithionitriles. 3-Keto nitriles substituted at the 2-position were obtained in good yields when these reactions were trapped with acid chlorides. The mechanism of the benzyne reaction in terms of a N-lithiobenzocyclobutanimine intermediate is discussed. Copyright Taylor & Francis Group, LLC.

Pyrazolo[1,5-α]pyrimidines: Estrogen receptor ligands possessing estrogen receptor β antagonist activity

Compton, Dennis R.,Sheng, Shubin,Carlson, Kathryn E.,Rebacz, Natalie A.,Lee, In Young,Katzenellenbogen, Benita S.,Katzenellenbogen, John A.

, p. 5872 - 5893 (2007/10/03)

In our search for novel subtype-selective estrogen receptor (ER) ligands, we have examined various heterocyclic units as core structural elements. Here, we have investigated the fused, bicyclic pyrazolo[1,5-a]pyrimidine core, which is a system that allows

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