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2-Propenoic acid, 3-(4-cyanophenyl)-, 1,1-dimethylethyl ester, (2E)- is a complex organic compound with the chemical formula C14H13NO2. It is a derivative of acrylic acid, featuring a 4-cyanophenyl group attached to the third carbon of the propenoic acid backbone. The molecule also contains a 1,1-dimethylethyl ester group, which is a tert-butyl ester, providing additional steric hindrance and stability. 2-Propenoic acid, 3-(4-cyanophenyl)-, 1,1-dimethylethyl ester, (2E)- is characterized by its (2E)-configuration, indicating the presence of a trans double bond between the second and third carbon atoms. It is an important intermediate in the synthesis of various pharmaceuticals and agrochemicals due to its unique structure and reactivity.

516520-65-3

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516520-65-3 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 516520-65-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 5,1,6,5,2 and 0 respectively; the second part has 2 digits, 6 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 516520-65:
(8*5)+(7*1)+(6*6)+(5*5)+(4*2)+(3*0)+(2*6)+(1*5)=133
133 % 10 = 3
So 516520-65-3 is a valid CAS Registry Number.

516520-65-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl 3-(4-cyanophenyl)prop-2-enoate

1.2 Other means of identification

Product number -
Other names 2-Propenoic acid,3-(4-cyanophenyl)-,1,1-dimethylethyl ester

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:516520-65-3 SDS

516520-65-3Relevant academic research and scientific papers

A Bis (BICAAC) Palladium(II) Complex: Synthesis and Implementation as Catalyst in Heck-Mizoroki and Suzuki-Miyaura Cross Coupling Reactions

Chakrabortty, Soumyadeep,Kaur, Mandeep,Adhikari, Manu,Manar, Krishna K.,Singh, Sanjay

supporting information, p. 6209 - 6217 (2021/05/06)

Carbenes are one of the most appealing, well-explored, and exciting ligands in modern chemistry due to their tunable stereoelectronic properties and a wide area of applications. A palladium complex (BICAAC)2PdCl2 with a recently discovered cyclic (alkyl)(amino)carbene having bicyclo[2.2.2] octane skeleton (BICAAC) was synthesized and characterized. The enhanced σ-donating and π-accepting ability of this carbene lend a hand to form a robust Pd-carbene bond, which allowed us to probe its reactivity as a precatalyst in Heck-Mizoroki and Suzuki-Miyaura cross-coupling reactions with low catalyst loading in open-air conditions. The diverse range of substrates was explored for both the cross-coupling reactions. To get a better understanding of the catalytic reactions, several analytical techniques such as field-emission scanning electron microscopy, high-resolution transmission electron microscopy, and powder X-ray diffraction were employed in a conclusive manner.

Magnetite tethered mesoionic carbene-palladium (II): An efficient and reusable nanomagnetic catalyst for Suzuki-Miyaura and Mizoroki-Heck cross-coupling reactions in aqueous medium

Kempasiddhaiah, Manjunatha,Kandathil, Vishal,Dateer, Ramesh B.,Sasidhar, Balappa S.,Patil, Shivaputra A.,Patil, Siddappa A.

, (2019/03/07)

In this paper, a highly active, air- and moisture-stable and easily recoverable magnetic nanoparticles tethered mesoionic carbene palladium (II) complex (MNPs-MIC-Pd) as nanomagnetic catalyst was successfully synthesized by a simplistic multistep synthesis under aerobic conditions using commercially available inexpensive chemicals for the first time. The synthesized MNPs-MIC-Pd nanomagnetic catalyst was in-depth characterized by numerous physicochemical techniques such as FT-IR, ICP-AES, FESEM, EDS, TEM, p-XRD, XPS, TGA and BET surface area analysis. The prepared MNPs-MIC-Pd nanomagnetic catalyst was used to catalyze the Suzuki–Miyaura and Mizoroki–Heck cross-coupling reactions and exhibited excellent catalytic activity for various substrates under mild reaction conditions. Moreover, MNPs-MIC-Pd nanomagnetic catalyst could be easily and rapidly recovered by applying an external magnet. The recovered MNPs-MIC-Pd nanomagnetic catalyst exhibited very good catalytic activity up to ten times in Suzuki–Miyaura and five times in Mizoroki–Heck cross-coupling reactions without considerable loss of its catalytic activity. However, MNPs-MIC-Pd nanomagnetic catalyst shows notable advantages such as heterogeneous nature, efficient catalytic activity, mild reaction conditions, easy magnetic work up and recyclability.

A convenient, efficient and reusable N-heterocyclic carbene-palladium(II) based catalyst supported on magnetite for Suzuki-Miyaura and Mizoroki-Heck cross-coupling reactions

Kandathil, Vishal,Fahlman, Bradley D.,Sasidhar,Patil, Siddappa A.,Patil, Shivaputra A.

, p. 9531 - 9545 (2017/08/29)

In the present work, a new magnetic nanoparticle supported N-heterocyclic carbene-palladium(ii) (NO2-NHC-Pd@Fe3O4) nanomagnetic catalyst was synthesized by a facile multistep synthesis under aerobic conditions using inexpensive chemicals. The NO2-NHC-Pd@Fe3O4 nanomagnetic catalyst was characterized by various analytical techniques such as attenuated total reflectance infrared spectroscopy (ATR-IR), inductively coupled plasma-atomic emission spectroscopy (ICP-AES), energy-dispersive X-ray spectroscopy (EDS), field-emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), X-ray powder diffraction (XRD), thermogravimetric analysis (TGA) and Brunauer-Emmett-Teller surface area analysis (BET). The synthesized NO2-NHC-Pd@Fe3O4 nanomagnetic catalyst showed excellent catalytic activity in both Suzuki-Miyaura and Mizoroki-Heck cross-coupling reactions for various substrates under mild reaction conditions. Recovery of the NO2-NHC-Pd@Fe3O4 nanomagnetic catalyst from the reaction mixture was easily accomplished by applying an external magnet. The recovered NO2-NHC-Pd@Fe3O4 nanomagnetic catalyst exhibited very good catalytic activity up to seven recycles in Suzuki-Miyaura and five recycles in Mizoroki-Heck cross-coupling reactions without considerable loss of its catalytic activity.

A chiral ligand mediated aza-conjugate addition strategy for the enantioselective synthesis of β-amino esters that contain hydrogenolytically sensitive functionality

Archer, Robert M.,Hutchby, Marc,Winn, Caroline L.,Fossey, John S.,Bull, Steven D.

, p. 8838 - 8847 (2015/10/20)

Aza-conjugate addition of the lithium anion of N-trimethylsilyl-p-methoxybenzylamine to tert-butyl enoate acceptors, in the presence of a stoichiometric amount of enantiopure 1,2-dimethoxy-1,2-diphenylethane and excess trimethylsilyl chloride, affords ter

Pd doped SiO2 nanoparticles: An efficient recyclable catalyst for Suzuki, Heck and Sonogashira reactions

Kotadia, Deepali A.,Patel, Urmila H.,Gandhi, Sahaj,Soni, Saurabh S.

, p. 32826 - 32833 (2014/08/18)

Palladium doped silica (Pd/SiO2) mesoporous material was synthesized via the sol-gel route using the P123 triblock copolymer as a structure directing agent. Pd/SiO2 was efficiently used as a catalyst for Suzuki, Heck and Sonogashira reactions under microwave irradiation. The catalyst exhibited high activity for all the coupling reactions and can be recycled nine times without a significant loss in its catalytic activity. This journal is the Partner Organisations 2014.

Controlling olefin isomerization in the heck reaction with neopentyl phosphine ligands

Lauer, Matthew G.,Thompson, Mallory K.,Shaughnessy, Kevin H.

, p. 10837 - 10848 (2015/01/08)

The use of neopentyl phosphine ligands was examined in the coupling of aryl bromides with alkenes. Di-tert-butylneopentylphosphine (DTBNpP) was found to promote Heck couplings with aryl bromides at ambient temperature. In the Heck coupling of cyclic alkenes, the degree of alkene isomerization was found to be controlled by the choice of ligand with DTBNpP promoting isomerization to a much greater extent than trineopentylphosphine (TNpP). Under optimal conditions, DTBNpP provides high selectivity for 2-aryl-2,3-dihydrofuran in the arylation of 2,3-dihydrofuran, whereas TNpP provided high selectivity for the isomeric 2-aryl-2,5-dihydrofuran. A similar complementary product selectivity is seen in the Heck coupling of cyclopentene. Heck coupling of 2-bromophenols or 2-bromoanilides with 2,3-dihydrofurans affords 2,5-epoxybenzoxepin and 2,5-epoxybenzazepins, respectively.

Monomeric Pd(II) complexes with trans-chelated pyrazole ligands as effective pre-catalysts for Heck cross-coupling reaction under mild aerobic conditions

Chou, Chang-Chuan,Yang, Chia-Chi,Syu, Hong-Bin,Kuo, Ting-Shen

, p. 387 - 392 (2013/10/01)

A new family of mononuclear palladium(II) complexes with bidentate trans-chelating pyrazole ligands [PdCl2(LR)] (R = H, 1; Et, 2; Ph, 3; CHPh2, 4), where new ligand LEt = 2-ethyl-1,3-bis-(3,5-dimethyl-pyrazol-1-

Mizoroki-Heck and Sonogashira cross-couplings catalyzed by CNC palladium pincer complexes in organic and aqueous media

SanMartin, Raul,Ines, Blanca,Moure, Maria Jesus,Herrero, Maria Teresa,Dominguez, Esther

experimental part, p. 955 - 962 (2012/08/08)

The catalytic activity of two CNC palladium pincer complexes is evaluated in two fundamental C - C bond-forming reactions: Mizoroki - Heck and Sonogashira cross-couplings. After several optimization attempts and a brief comparison with a PCN pincer cataly

Solid Forms Comprising A Cyclopropyl Amide Derivative

-

Page/Page column 15; 16, (2011/09/14)

This disclosure relates to at least one solid form of 4-{(1S, 2S)-2-[((R)-4-cyclobutyl-2-methylpiperazin-1-yl)carbonyl]-cyclopropyl}-benzamide. This disclosure also relates to at least one pharmaceutical composition comprising at least one solid form described herein, methods of using the solid forms and pharmaceutical compositions comprised thereof, and processes of manufacturing the solid forms.

Cyclopropyl Amide Derivatives

-

Page/Page column 46, (2010/09/05)

Disclosed herein is at least one cyclopropyl amide derivative, at least one pharmaceutical composition comprising at least one cyclopropyl amide derivative disclosed herein, and at least one method of using at least one cyclopropyl amide derivative disclosed herein for treating at least one histamine H3 receptor associated condition therewith.

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