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Benzenepropanoic acid, α-methylene-, phenylmethyl ester, also known as α-methylenebenzenepropanoic acid phenylmethyl ester, is a complex organic compound with the chemical formula C16H14O2. It is a derivative of benzenepropanoic acid, featuring an α-methylene group (-CH2-) and a phenylmethyl (benzyl) ester group. This molecule is characterized by its aromatic ring structure, which includes a benzene ring and a propanoic acid chain. The α-methylene group introduces a double bond between the first and second carbon atoms of the propanoic acid chain, while the phenylmethyl ester group replaces the hydroxyl group of the carboxylic acid, forming an ester linkage. Benzenepropanoic acid, a-methylene-, phenylmethyl ester is of interest in organic chemistry and pharmaceutical research due to its unique structure and potential applications in the synthesis of various drugs and chemical compounds.

95176-68-4

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95176-68-4 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 95176-68-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,5,1,7 and 6 respectively; the second part has 2 digits, 6 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 95176-68:
(7*9)+(6*5)+(5*1)+(4*7)+(3*6)+(2*6)+(1*8)=164
164 % 10 = 4
So 95176-68-4 is a valid CAS Registry Number.

95176-68-4SDS

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 phenylmethyl α-methylenebenzenepropanoate

1.2 Other means of identification

Product number -
Other names Benzyl 2-Benzylacrylate

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:95176-68-4 SDS

95176-68-4Relevant academic research and scientific papers

Synthesis method of allyl aryl compound

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Paragraph 0024-0025, (2021/06/02)

The invention belongs to the technical field of synthesis of organic compounds, and relates to a synthesis method of an allyl aryl compound. Under the action of a nickel catalyst and a ligand, a cross-coupling reaction of an allyl alkyl ether compound and an arylboronic acid reagent is carried out, activation of carbon-oxygen bonds is realized, and the allyl aryl compound is obtained. The method has the advantages of low cost, simple process, high product purity and yield, wide substrate application range and the like. The synthesis method can be used for modifying drug molecules, and the synthesized product can be used as a novel medical intermediate.

Nickel-Catalyzed Arylation of C(sp3)-O Bonds in Allylic Alkyl Ethers with Organoboron Compounds

Li, Xiaowei,Li, Yuxiu,Zhang, Zhong,Shi, Xiaolin,Liu, Ruihua,Wang, Zemin,Li, Xiangqian,Shi, Dayong

supporting information, p. 6612 - 6616 (2021/09/02)

A nickel-catalyzed cross-coupling of allylic alkyl ethers with organoboron compounds through the cleavage of the inert C(sp3)-O(alkyl) bonds is described. Several types of allylic alkyl ethers can be coupled with various boronic acids or their derivatives to give the corresponding products in good to excellent yields with wide functional group tolerance and excellent regioselectivity. The gram-scale reaction and late-stage modification of biologically active compounds further prove the practicality of this synthetic method.

High-yielding sequential one-pot synthesis of chiral and achiral α-substituted acrylates via a metal-free reductive coupling reaction

Ramachary, Dhevalapally B.,Venkaiah, Chintalapudi,Reddy, Y. Vijayendar

supporting information, p. 5400 - 5406 (2014/07/21)

A general process for the high-yielding synthesis of substituted chiral and achiral α-substituted acrylates was achieved through the sequential one-pot combination of a metal-free reductive coupling reaction followed by an Eschenmoser methylenation. The proline catalyzed reaction of Meldrum's acid, aldehydes and Hantzsch ester followed by methylenation was successful with Eschenmoser's salt in the presence of an alcohol solvent. Herein, we have shown the high-yielding synthesis of privileged building blocks from chiral/achiral α-substituted acrylates and shown them to be very good intermediates in the pharmaceuticals and natural products synthesis. This journal is the Partner Organisations 2014.

Pd-catalyzed threefold arylation of Baylis-Hillman bromides and acetates with triarylbismuth reagents

Rao, Maddali L. N.,Giri, Somnath

, p. 4580 - 4589 (2012/11/07)

Functionalized alkyl 2-benzylacrylates and 2-benzylacrylonitriles were synthesized by means of atom-economic cross-couplings of Baylis-Hillman bromides or acetates with BiAr3 under palladium-catalyzed conditions. These reactions, involving thre

Design and pharmacological activity of phosphinic acid based NAALADase inhibitors

Jackson,Tays,Maclin,Ko,Li,Vitharana,Tsukamoto,Stoermer,Lu,Wozniak,Slusher

, p. 4170 - 4175 (2007/10/03)

A novel series of phosphinic acid based inhibitors of the neuropeptidase NAALADase are described in this work. This series of compounds is the most potent series of inhibitors of the enzyme described to date. In addition, we have shown that these compounds are protective in animal models of neurodegeneration. Compound 34 significantly prevented neurodegeneration in a middle cerebral artery occlusion model of cerebral ischemia. In addition, in the chronic constrictive model of neuropathic pain, compound 34 significantly attenuated the hypersensitivity observed with saline-treated animals. These data suggest that NAALADase inhibition may provide a new approach for the treatment of both neurodegenerative disorders and peripheral neuropathies.

ALKYLAMINOALKYL-TERMINATED SULFIDE/SULFONYL-CONTAINING PROPARGYL AMINO-DIOL COMPOUNDS FOR TREATMENT OF HYPERTENSION

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, (2008/06/13)

Compounds characterized generally as alkylaminoalkyl-terminated sulfide/sulfonyl-containing propargyl amino-diol derivatives are useful as renin inhibitors for the treatment of hypertension. Compounds of particular interest are those of Formula II: STR1 wherein q is two or three; wherein r is zero or two; wherein R 2 is selected from hydrido, methyl, ethyl and phenyl; wherein R 3 is selected from hydrido, cyclohexylmethyl, benzyl, fluorobenzyl, chlorobenzyl, fluoronaphthylmethyl and chloronaphthylmethyl; wherein R. sup.5 is propargyl or a propargyl containing moiety; wherein R. sup.7 is cyclohexylmethyl; wherein R 8 is selected from n-propyl, isobutyl, cyclopropyl, cyclopropylmethyl, allyl and vinyl; and wherein each of R. sup.12 and R 13 is a group independently selected from methyl, ethyl and isopropyl; or a pharmaceutically-acceptable salt thereof.

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