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A-BENZYLHYDROCINNAMIC ACID, a chemical compound with the formula C16H14O2, is a derivative of cinnamic acid. It is commonly found in essential oils and exhibits various biological activities. As a white solid at room temperature, it is soluble in organic solvents such as ethanol and acetone. A-BENZYLHYDROCINNAMIC ACID is significant for its role in organic synthesis and as a potential therapeutic agent in medicinal chemistry, with studies indicating its potential anti-inflammatory and antioxidant properties.

618-68-8

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618-68-8 Usage

Uses

Used in Pharmaceutical Industry:
A-BENZYLHYDROCINNAMIC ACID is used as an intermediate in the synthesis of pharmaceuticals for its versatile chemical properties and potential therapeutic effects. Its presence in essential oils and biological activities make it a valuable component in the development of new drugs.
Used in Organic Synthesis:
A-BENZYLHYDROCINNAMIC ACID is used as a key intermediate in organic synthesis for the production of other organic compounds. Its chemical structure allows for various reactions, making it a useful building block in the creation of complex molecules.
Used in Medicinal Chemistry:
A-BENZYLHYDROCINNAMIC ACID is used as a potential therapeutic agent in medicinal chemistry due to its potential anti-inflammatory and antioxidant properties. These properties are being studied for their possible applications in treating various diseases and conditions.
Used in Research and Development:
A-BENZYLHYDROCINNAMIC ACID is used in research and development for exploring its potential applications in various fields, including pharmaceuticals, organic synthesis, and medicinal chemistry. Its unique properties and potential effects make it an interesting subject for scientific investigation.

Check Digit Verification of cas no

The CAS Registry Mumber 618-68-8 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,1 and 8 respectively; the second part has 2 digits, 6 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 618-68:
(5*6)+(4*1)+(3*8)+(2*6)+(1*8)=78
78 % 10 = 8
So 618-68-8 is a valid CAS Registry Number.
InChI:InChI=1/C16H16O2/c17-16(18)15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,17,18)

618-68-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-benzyl-3-phenylpropanoic acid

1.2 Other means of identification

Product number -
Other names Dibenzylacetic acid

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:618-68-8 SDS

618-68-8Relevant academic research and scientific papers

Synthesis of Acyclic Aliphatic Amides with Contiguous Stereogenic Centers via Palladium-Catalyzed Enantio-, Chemo- and Diastereoselective Methylene C(sp3)?H arylation

Deng, Yao-Ting,Ding, Yi,Han, Ye-Qiang,Kong, Ke-Xin,Shi, Bing-Feng,Wu, Le-Song,Yang, Xu

supporting information, p. 20455 - 20458 (2020/09/07)

The enantioselective desymmetrizing C?H activation of α-gem-dialkyl acyclic amides remains challenging because the availability of four chemically identical unbiased methylene C(sp3)?H bonds and increased rotational freedoms of the acyclic systems add tremendous difficulties for chemo- and stereocontrol. We have developed a method for the synthesis of acyclic aliphatic amides with α,β-contiguous stereogenic centers via PdII-catalyzed asymmetric arylation of unbiased methylene C(sp3)?H, in good yields and with high levels of enantio-, chemo- and diastereoselectivity (up to >99 % ee and >20:1 d.r.). Successive application of this method enables the sequential arylation of the gem-dialkyl groups with two different aryl iodides, giving a range of β-Ar1-β′-Ar2-aliphatic acyclic amides containing three contiguous stereogenic centers with excellent diastereoselectivity.

Pd-Catalyzed debenzylation and deallylation of ethers and esters with sodium hydride

Mao, Yujian,Liu, Ye,Hu, Yanwei,Wang, Liang,Zhang, Shilei,Wang, Wei

, p. 3016 - 3020 (2018/04/14)

Herein we demonstrate simply that the addition of Pd(OAc)2 as a promotor switches the reactivity of a commonly used base NaH to a nucleophilic reductant. The reactivity is engineered into a palladium-catalyzed reductive debenzylation and deallylation of aryl ethers and esters. This operationally simple, mild protocol displays a broad substrate scope and a broad spectrum of functional group tolerance (>50 examples) and high chemoselectivity toward aryl ethers over aliphatic structures. Moreover, the dual reactivity of NaH as a base and a reductant is demonstrated in efficient synthetic elaboration.

Use of ethyl (benzothiazol-2-ylsulfonyl)acetate for malonic ester-type syntheses of carboxylic acids and esters

Hussein, Waleed M.,McGeary, Ross P.

, p. 1222 - 1227 (2014/10/16)

A new methodology for the synthesis of substituted carboxylic acids is described. Alkylation of either ethyl (benzothiazol-2-ylsulfonyl)acetate or ethyl 2-(benzothiazol-2-ylsulfonyl)propionate was achieved with alkyl halides and 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) in dichloromethane solution. These products were then desulfinated and hydrolysed in one-pot under mild conditions to give substituted acetic acids in good-to-excellent yields.

A flavin analogue with improved solubility in organic solvents

Koder, Ronald L.,Lichtenstein, Bruce R.,Cerda, Jose F.,Miller, Anne-Frances,Dutton, P. Leslie

, p. 5517 - 5520 (2008/02/13)

We report the synthesis and initial electrochemical characterization of a benzene-soluble flavin analogue: N(10)-2,2-dibenzylethyl-7,8-dimethylisoalloxazine (DBF, 1). This analogue, which has an unmodified flavin headgroup, is intended for use in the spectroscopic examination of the electronic effects of flavin hydrogen bonding in simple model systems in aprotic, non-hydrogen bonding solvents. With future spectroscopic studies in mind, we have developed a synthetic route, which allows the incorporation of isotopic labels using inexpensive starting materials.

Microwave assisted hydrolysis of Meldrum's acid derivatives and decarboxylation of derived malonic acids

Helavi,Solabannavar,Desai,Mane

, p. 174 - 175 (2007/10/03)

Microwave induced hydrolysis of alkyl Medrum's acids and decarboxylation of derived malonic acids using poly-4-vinylpyridine as a catalyst gives high yields of carboxylic acids in a short time.

Selective Activation of Primary Carboxylic Acids by Electron-rich Triarylbismuthanes. Application to Amide and Ester Synthesis under Neutral Conditions

Ogawa, Takuji,Hikasa, Tetsuya,Ikegami, Tohru,Ono, Noboru,Suzuki, Hitomi

, p. 3473 - 3478 (2007/10/02)

On being heated in benzene in the presence of tris(methoxyphenyl)bismuthanes 1b-1e, primary carboxylic acids are selectively activated to couple with amines and alcohols to produce the corresponding amides and esters in satisfactory yields, while secondary, tertiary and aromatic carboxylic acids remain unaffected. 2-Benzylmalonic acid is similarly converted into its corresponding diamides and diesters, but 2,2-dibenzylmalonic acid suffers extensive decarboxylation and, in the presence of aromatic olefins, it undergoes a novel -type cycloaddition reaction to form 4-substituted 2,2-dibenzyl-4-butanolides in low to fair yields.

Dipeptides as renin inhibitors

-

, (2008/06/13)

Dipeptides are described which are represented by the formula STR1 wherein the various substituents are defined hereinbelow. These compounds have a strong inhibitory efect on human renin, and are useful as a therapeutically active agent for the treatment of hypertension, especially renin-associated hypertension.

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