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(E)-3-(4-METHOXY-PHENYL)-BUT-2-ENOIC ACID ETHYL ESTER is a colorless liquid chemical compound, an ethyl ester of a butenoic acid with a 4-methoxyphenyl group, and has a molecular formula of C13H16O3. It is known for its reactivity and versatile chemical properties, making it a significant compound in the field of organic chemistry.

7706-82-3

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7706-82-3 Usage

Uses

Used in Pharmaceutical Industry:
(E)-3-(4-METHOXY-PHENYL)-BUT-2-ENOIC ACID ETHYL ESTER is used as a precursor for the production of various drugs due to its reactivity and versatile chemical properties, contributing to the development of new pharmaceuticals.
Used in Organic Synthesis:
(E)-3-(4-METHOXY-PHENYL)-BUT-2-ENOIC ACID ETHYL ESTER is used as a building block in organic synthesis, allowing for the creation of a wide range of organic compounds.
Used in Food Industry:
(E)-3-(4-METHOXY-PHENYL)-BUT-2-ENOIC ACID ETHYL ESTER is used as a flavoring agent, adding unique flavors to the food products for enhanced taste and consumer appeal.

Check Digit Verification of cas no

The CAS Registry Mumber 7706-82-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,7,0 and 6 respectively; the second part has 2 digits, 8 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 7706-82:
(6*7)+(5*7)+(4*0)+(3*6)+(2*8)+(1*2)=113
113 % 10 = 3
So 7706-82-3 is a valid CAS Registry Number.
InChI:InChI=1/C13H16O3/c1-4-16-13(14)9-10(2)11-5-7-12(15-3)8-6-11/h5-9H,4H2,1-3H3/b10-9+

7706-82-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name (E)-3-(4-METHOXY-PHENYL)-BUT-2-ENOIC ACID ETHYL ESTER

1.2 Other means of identification

Product number -
Other names (E)-3-(4-methoxyphenyl)-2-butenoic acid ethyl 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:7706-82-3 SDS

7706-82-3Relevant academic research and scientific papers

Cobalt-Catalyzed Diastereo- And Enantioselective Reductive Allyl Additions to Aldehydes with Allylic Alcohol Derivatives via Allyl Radical Intermediates

Wang, Lei,Wang, Lifan,Li, Mingxia,Chong, Qinglei,Meng, Fanke

supporting information, p. 12755 - 12765 (2021/08/30)

Catalytic generation of ambiphilic π-allyl-metal complexes and their utility in enantioselective transformations constitutes a powerful approach for introduction of allyl groups to a molecule. Herein an unprecedented cobalt-catalyzed highly site-, diastereo-, and enantioselective protocol for stereoselective formation of nucleophilic allyl-Co(II) complexes followed by addition to aldehydes is presented. The reaction features diastereo- and enantioconvergent conversion of easily accessible allylic alcohol derivatives to diversified enantioenriched homoallylic alcohols with a remarkably broad scope of allyl groups that can be introduced. Mechanistic studies indicated that allyl radical intermediates were involved in this process. These new discoveries establish a new strategy for development of enantioselective transformations through capture of radicals by chiral Co complexes, pushing forward the frontier of Co complexes for enantioselective catalysis.

Cobalt-Catalyzed Asymmetric 1,4-Hydroboration of Enones with HBpin

Ren, Xiang,Lu, Zhan

supporting information, p. 8370 - 8374 (2021/11/01)

Herein, a series of new 8-OIQ cobalt complexes were synthesized and used for cobalt-catalyzed chemo- and enantioselective 1,4-hydroboration of enones with HBpin to access chiral β,β-disubstituted ketones with good to excellent chemo- and enantioselectivties. This protocol is operationally simple and shows a broad substrate scope.

Heteroleptic Copper-Based Complexes for Energy-Transfer Processes: E → Z Isomerization and Tandem Photocatalytic Sequences

Cruché, Corentin,Neiderer, William,Collins, Shawn K.

, p. 8829 - 8836 (2021/07/28)

Energy-transfer processes involving copper complexes are rare. Using an optimized heteroleptic copper complex, Cu(bphen)(XantPhos)BF4, photosensitized E → Z isomerization of olefins is demonstrated. The XantPhos ligand afforded sensitizers with improved catalyst stability, while the bphen ligand lengthened the excited-state lifetime. A series of 25 di- and trisubstituted alkenes underwent photoisomerization, including macrocycles and 1,3-enynes. Cu(bphen)(XantPhos)BF4 could also be employed in a tandem ATRA/photoisomerization process employing arylsulfonyl chlorides, an example of photoisomerization with halide-substituted olefins.

Recyclable and reusable PdCl2(PPh3)2/PEG-400/H2O system for the hydrophenylation of alkynes with sodium tetraphenylborate

Liu, Rong,Zhang, Tingli,Huang, Bin,Cai, Mingzhong

, p. 172 - 178 (2020/07/04)

A stable and efficient PdCl2(PPh3)2/PEG-400/H2O catalytic system for the hydrophenylation reaction of alkynes has been developed. In the presence of 3 mol% PdCl2(PPh3)2 and 2 equiv. of HOAc, the hydrophenylation of both terminal and internal alkynes with sodium tetraphenylborate proceeded smoothly in a mixture of PEG-400 and water at room temperature or 50 °C to afford a variety of phenyl-substituted alkenes in moderate to high yields. The isolation of the products was easily performed by extraction with petroleum ether, and the PdCl2(PPh3)2/PEG-400/H2O system could be readily recycled and reused six times without apparent loss of catalytic activity.

Carbene-Catalyzed Formal [3+3] Cycloaddition Reaction for Access to Substituted 2-Phenylbenzothiazoles

Ni, Zhibin,Mou, Chengli,Zhu, Xun,Qi, Puying,Yang, Song,Chi, Yonggui Robin,Jin, Zhichao

supporting information, p. 492 - 495 (2020/01/24)

A carbene-catalyzed oxidative cycloaddition reaction is developed for efficient access to multi-functionalized 2-phenylbenzothiazoles. A broad scope of heavily substituted arenes bearing 2-benzothiazole groups have been prepared in good to excellent yields. The remote C(sp2)–H bond in the substituted arene products can be activated by Pd catalysts in regio-selective fashion with the direction of the 2-benzothiazole groups.

Catalytic Asymmetric Transfer Hydrogenation of trans-Chalcone Derivatives Using BINOL-derived Boro-phosphates

Na, Fei,Lopez, Susana S.,Beauseigneur, Alice,Hernandez, Lucas W.,Sun, Zhuoxin,Antilla, Jon C.

supporting information, p. 5953 - 5957 (2020/08/12)

Chiral phosphoric-acid-catalyzed asymmetric reductions of trans-chalcones have been investigated in this work. A BINOL-derived boro-phosphate-catalyzed asymmetric transfer hydrogenation of the carbon-carbon double bond of trans-chalcone derivatives employing borane as a hydride source was realized. This methodology provides a convenient procedure to access chiral dihydrochalone derivatives in high yields and with high enantioselectivities under mild conditions.

NHC-catalyzed asymmetric α-regioselective [4 + 2] annulation to construct α-alkylidene-δ-lactones

Liu, Lala,Guo, Donghui,Wang, Jian

supporting information, p. 7025 - 7029 (2020/09/15)

The unprecedented NHC-catalyzed [4 + 2] annulation of α-bromoenals with dioxopyrrolidines is described. This protocol features broad substrate scope and allows rapid assembly of α-alkylidene-δ-lactones in good to high yields with excellent enantioselectivities. Notably, this process includes α-regioselective activation of azolium dienolate intermediates, which has not yet been reported.

Synergistic N-Heterocyclic Carbene/Palladium-Catalyzed [3 + 2] Annulation of Vinyl Enolates with 1-Tosyl-2-vinylaziridine

Gao, Jian,Zhang, Jianming,Fang, Shuaishuai,Feng, Jie,Lu, Tao,Du, Ding

supporting information, p. 7725 - 7729 (2020/10/09)

The synergistic combination of N-heterocyclic carbene organocatalysis and transition-metal catalysis for a formal [3 + 2] annulation between 3-substituted but-2-enoates and 1-tosyl-2-vinylaziridine was developed. This cooperative strategy provides a facile and efficient access to various functionalized (E)-3-ethylidene-4-vinylpyrrolidin-2-ones in a regioselective and stereoselective manner. The preliminary asymmetric studies were also performed, which indicated a potential for enantioselective annulation of vinyl enolate intermediates with transition-metal-π-allyl species.

Copper-Photocatalyzed Contra-Thermodynamic Isomerization of Polarized Alkenes

Bouillon, Jean-Philippe,Brégent, Thibaud,Poisson, Thomas

supporting information, p. 7688 - 7693 (2020/10/09)

The contra-thermodynamic isomerization of α- and β-substituted cinnamate derivatives catalyzed by the Cu(OAc)2/rac-BINAP complex under blue light irradiation is reported. The use of an oxazolidinone template, which favored the complexation of the copper catalyst to the substrate, allowed the E → Z isomerization of the catalytically formed chromophore under simple and robust reaction conditions in good to excellent ratios. The mechanism of this process based on the transient formation of a chromophore was also studied.

Visible-Light-Promoted Intramolecular α-Allylation of Aldehydes in the Absence of Sacrificial Hydrogen Acceptors

Liu, Feng,Liu, Jia-Li,tu, Jia-Lin

supporting information, p. 7369 - 7372 (2020/10/05)

We report herein an unprecedented protocol for radical cyclization of aldehydes with pendant alkenes via synergistic photoredox, cobaloxime, and amine catalysis. The transformation was achieved in the absence of external oxidants, providing a variety of 5-, 6-, and 7-membered ring products with alkene transposition in satisfactory yields. The reaction exhibits wide functional group compatibility and occurs under mild conditions with extrusion of H2.

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