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2-Allyl-benzoic acid, also known as 2-Prop-2-enyl benzoic acid, is an organic compound characterized by its molecular formula C10H10O2. It presents as a colorless to light yellow liquid with a distinctive strong, sweet, balsamic odor. This versatile chemical is recognized for its applications in various industries, including the flavor and fragrance industry, pharmaceuticals, and the production of polymers and resins.

61436-73-5

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61436-73-5 Usage

Uses

Used in Flavor and Fragrance Industry:
2-Allyl-benzoic acid is used as a flavoring agent for imparting a sweet, balsamic aroma to food products and as a fragrance ingredient in cosmetic and perfumery applications, enhancing the sensory experience of these products.
Used in Pharmaceutical Industry:
In the pharmaceutical sector, 2-Allyl-benzoic acid serves as a key intermediate in the synthesis of various organic compounds, contributing to the development of new drugs and medicinal formulations.
Used in Polymer and Resin Production:
2-Allyl-benzoic acid is utilized in the manufacturing process of polymers and resins, where it plays a crucial role in determining the properties and performance of the final products, such as their durability and resistance to environmental factors.
Safety Precautions:
Given its skin and eye irritant properties, 2-Allyl-benzoic acid requires careful handling. It is essential to follow safety protocols, including the use of protective gloves and eyewear, to minimize potential health risks during its manipulation and application in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 61436-73-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,1,4,3 and 6 respectively; the second part has 2 digits, 7 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 61436-73:
(7*6)+(6*1)+(5*4)+(4*3)+(3*6)+(2*7)+(1*3)=115
115 % 10 = 5
So 61436-73-5 is a valid CAS Registry Number.
InChI:InChI=1/C10H10O2/c1-2-5-8-6-3-4-7-9(8)10(11)12/h2-4,6-7H,1,5H2,(H,11,12)

61436-73-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-prop-2-enylbenzoic acid

1.2 Other means of identification

Product number -
Other names Benzoicacid,2-(2-propen-1-yl)

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:61436-73-5 SDS

61436-73-5Relevant academic research and scientific papers

Palladium-Catalyzed Alkene Thioacylation: A C?S Bond Activation Approach for Accessing Indanone Derivatives

Wu, Jianing,Xu, Wen-Hua,Lu, Hong,Xu, Peng-Fei

supporting information, p. 3013 - 3017 (2021/05/07)

A palladium-catalyzed intramolecular alkene thioacylation reaction initiated by the activation of thioester C(acyl)?S bonds is reported. This approach successfully suppressed decarbonylation and β-hydrogen elimination with related acyl and alkyl metal thiolate intermediates, providing an efficient and atom-economical method to access indanone scaffolds. Mechanistic studies provide support for C(acyl)?Pd bond insertion of olefins. The synthetic utility of this protocol is demonstrated by the further conversion of the newly formed methylene sulfide substituent. (Figure presented.).

Carboxylation of Aryl Triflates with CO2 Merging Palladium and Visible-Light-Photoredox Catalysts

Bhunia, Samir Kumar,Das, Pritha,Nandi, Shantanu,Jana, Ranjan

supporting information, p. 4632 - 4637 (2019/06/27)

We report herein a visible-light-promoted, highly practical carboxylation of readily accessible aryl triflates at ambient temperature and a balloon pressure of CO2 by the combined use of palladium and photoredox Ir(III) catalysts. Strikingly, the stoichiometric metallic reductant is replaced by a nonmetallic amine reductant providing an environmentally benign carboxylation process. In addition, one-pot synthesis of a carboxylic acid directly from phenol and modification of estrone and concise synthesis of pharmaceutical drugs adapalene and bexarotene have been accomplished via late-stage carboxylation reaction. Furthermore, a parallel decarboxylation-carboxylation reaction has been demonstrated in an H-type closed vessel that is an interesting concept for the strategic sector. Spectroscopic and spectroelectrochemical studies indicated electron transfer from the Ir(III)/DIPEA combination to generate aryl carboxylate and Pd(0) for catalytic turnover.

Visible light driven metal-free intramolecular cyclization: A facile synthesis of 3-position substituted 3,4-dihydroisoquinolin-1(2: H)-one

Zou, Shuai,Geng, Shu,Chen, Lina,Wang, Haitao,Huang, Feng

supporting information, p. 380 - 387 (2019/01/10)

A visible-light metal-free photocatalytic synthesis of 3-position substituted 3,4-dihydroisoquinolin-1(2H)-one derivatives under mild conditions in moderate to good yields is described. EosinY Na, an organic dye, which is of low cost and has good availability, is used as the photocatalyst. A wide range of substrates are tolerated and the gram-scale reaction can also proceed smoothly. Mechanistic studies indicate that a plausible free radical process is proposed.

Cyclic Hypervalent Iodine Reagents for Azidation: Safer Reagents and Photoredox-Catalyzed Ring Expansion

Alazet, Sebastien,Preindl, Johannes,Simonet-Davin, Raphael,Nicolai, Stefano,Nanchen, Annik,Meyer, Thierry,Waser, Jerome

, p. 12334 - 12356 (2018/09/27)

Azides are building blocks of increasing importance in synthetic chemistry, chemical biology, and materials science. Azidobenziodoxolone (ABX, Zhdankin reagent) is a valuable azide source, but its safety profile has not been thoroughly established. Herein, we report a safety study of ABX, which shows its hazardous nature. We introduce two derivatives, tBu-ABX and ABZ (azidobenziodazolone), with a better safety profile, and use them in established photoredox- and metal-mediated azidations, and in a new ring-expansion of silylated cyclobutanols to give azidated cyclopentanones.

Catalytic Isohypsic-Redox Sequences for the Rapid Generation of Csp3-Containing Heterocycles

Smith, Craig D.,Phillips, David,Tirla, Alina,France, David J.

, p. 17201 - 17204 (2018/11/10)

Cross-coupling reactions catalyzed by transition metals are among the most influential in modern synthetic chemistry. The vast majority of transition-metal-catalyzed cross-couplings rely on a catalytic cycle involving alternating oxidation and reduction o

Catalytic C-N and C-H Bond Activation: Ortho-Allylation of Benzoic Acids with Allyl Amines

Hu, Xiao-Qiang,Hu, Zhiyong,Zhang, Guodong,Sivendran, Nardana,Goo?en, Lukas J.

supporting information, p. 4337 - 4340 (2018/07/29)

A facile insertion of ruthenium into aromatic C-H and allylic C-N bonds are the key steps in a [Ru(p-cymene)Cl2]2-catalyzed ortho-C-H allylation of benzoic acids. This protocol allows drawing on the large pool of allylic amines for state-of-the-art ortho-functionalizations of arenes, turning neutral amines into leaving groups. Concise syntheses of biologically active compounds provide further evidence of the synthetic potential of this methodology.

Intramolecular Hydroamidation of ortho-Vinyl Benzamides Promoted by Potassium tert-Butoxide/N,N-Dimethylformamide

Chen, Zhen-Yu,Wu, Liang-Yu,Fang, Hai-Sheng,Zhang, Ting,Mao, Zhi-Feng,Zou, Yong,Zhang, Xue-Jing,Yan, Ming

, p. 3894 - 3899 (2017/10/07)

An intramolecular hydroamidation of ortho-vinyl benzamides had been developed. The reaction was promoted efficiently by potassium tert-butoxide and N,N-dimethylformamide without the need for strong oxidants or transition-metal catalysts. A series of dihyd

Divergent Access to (1,1) and (1,2)-Azidolactones from Alkenes using Hypervalent Iodine Reagents

Alazet, Sébastien,Le Vaillant, Franck,Nicolai, Stefano,Courant, Thibaut,Waser, Jerome

supporting information, p. 9501 - 9504 (2017/07/22)

A versatile synthesis of azidolactones through azidation and cyclization of carboxylic acids onto alkenes has been developed. Based on either photoredox or palladium catalysis, (1,1) and (1,2) azido lactones can be selectively synthesized. The choice of catalyst and benziodoxol(on)e reagent serving as azide source was essential to initiate either a radical or Lewis acid mediated process with divergent outcome. These transformations were carried out under mild conditions using a low catalyst loading and gave access to a large scope of azido lactones.

Direct oxidative lactonization of alkenoic acids mediated solely by NaIO4: Beyond a simple oxidant

Kang, Yan-Biao,Chen, Xian-Min,Yao, Chuan-Zhi,Ning, Xiao-Shan

supporting information, p. 6193 - 6196 (2016/05/19)

Triflic acid-catalyzed direct oxidative lactonization of alkenoic acids mediated solely by NaIO4 without halogen salts is described. Sodium periodate works not only as an oxidant, but also as an active reagent and directly mediates the lactonization. A new cheap, green, and practical oxidative lactonization approach has been developed using NaIO4 as the sole reagent.

Beyond classical reactivity patterns: Hydroformylation of vinyl and allyl arenes to valuable β- And γ-aldehyde intermediates using supramolecular catalysis

Dydio, Pawe?,Detz, Remko J.,De Bruin, Bas,Reek, Joost N. H.

supporting information, p. 8418 - 8429 (2014/06/24)

In this study, we report on properties of a series of rhodium complexes of bisphosphine and bisphosphite L1-L7 ligands, which are equipped with an integral anion binding site (the DIM pocket), and their application in the regioselective hydroformylation of vinyl and allyl arenes bearing an anionic group. In principle, the binding site of the ligand is used to preorganize a substrate molecule through noncovalent interactions with its anionic group to promote otherwise unfavorable reaction pathways. We demonstrate that this strategy allows for unprecedented reversal of selectivity to form otherwise disfavored β-aldehyde products in the hydroformylation of vinyl 2- and 3-carboxyarenes, with chemo- and regioselectivity up to 100%. The catalyst has a wide substrate scope, including the most challenging substrates with internal double bonds. Coordination studies of the catalysts under catalytically relevant conditions reveal the formation of the hydridobiscarbonyl rhodium complexes [Rh(Ln)(CO)2H]. The titration studies confirm that the rhodium complexes can bind anionic species in the DIM binding site of the ligand. Furthermore, kinetic studies and in situ spectroscopic investigations for the most active catalyst give insight into the operational mode of the system, and reveal that the catalytically active species are involved in complex equilibria with unusual dormant (reversibly inactivated) species. In principle, this involves the competitive inhibition of the recognition center by product binding, as well as the inhibition of the metal center via reversible coordination of either a substrate or a product molecule. Despite the inhibition effects, the substrate preorganization gives rise to very high activities and efficiencies (TON > 18‰000 and TOF > 6000 mol mol-1 h-1), which are adequate for commercial applications.

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