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3-(2-Carboxybenzyl)isocoumarin is a complex organic compound with the molecular formula C16H11NO5. It is a derivative of isocoumarin, featuring a benzyl group attached to the 3-position of the isocoumarin ring, with a carboxylic acid group at the 2-position of the benzyl moiety. This chemical is known for its potential applications in the synthesis of various pharmaceuticals and biologically active molecules due to its unique structure. It is often used as an intermediate in the preparation of more complex molecules, particularly in the field of medicinal chemistry. The compound's properties, such as its reactivity and stability, make it a valuable building block for the development of new drugs and other chemical entities.

5982-23-0

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5982-23-0 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 5982-23-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,9,8 and 2 respectively; the second part has 2 digits, 2 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 5982-23:
(6*5)+(5*9)+(4*8)+(3*2)+(2*2)+(1*3)=120
120 % 10 = 0
So 5982-23-0 is a valid CAS Registry Number.
InChI:InChI=1/C17H12O4/c18-16(19)14-7-3-1-5-11(14)9-13-10-12-6-2-4-8-15(12)17(20)21-13/h1-8,10H,9H2,(H,18,19)

5982-23-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-[(1-oxoisochromen-3-yl)methyl]benzoic acid

1.2 Other means of identification

Product number -
Other names (Carboxy-2' benzyl)-3 isocoumarine [French]

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:5982-23-0 SDS

5982-23-0Relevant academic research and scientific papers

A speedy route to sterically encumbered, benzene-fused derivatives of privileged, naturally occurring hexahydropyrrolo[1,2-b]isoquinoline

Bakulina, Olga,Ivanov, Alexander,Suslonov, Vitalii,Darin, Dmitry,Krasavin, Mikhail

, p. 1413 - 1424 (2017/07/28)

A series of 15 benzene-fused hexahydropyrrolo[1,2-b]isoquinolonic acids with substantial degree of steric encumbrance has been prepared via a novel variant of the Castagnoli-Cushman reaction of homophthalic anhydride (HPA) and various indolenines. The employment of a special kind of a cyclic imine component reaction allowed, for the first time, isolating a Mannich-type adduct between HPA and an imine component which has been postulated but never obtained in similar reactions.

Reduction of 3-(carboxyaryl)isocoumarins with sodium borohydride

Ishchenko,Voevoda,Shablykina,Turov,Khilya

experimental part, p. 1212 - 1224 (2012/08/07)

Reduction of 3-(carboxyaryl)isocoumarins with sodium borohydride proceeds with formation of corresponding 3-carboxyaryl-3,4-dihydroisocoumarins or isomeric dihydrophthalides, 3-(2-carboxybenzyl)-2-benzofuran-1(3H)-ones. Derivatives at the carboxyl group of 3-carboxyaryl-3,4-dihydroisocoumarins and 3-(2-carboxybenzyl)-2-benzofuran-1(3H)-ones have been obtained. 0009-3122/12/4710-12122012 Springer Science+Business Media, Inc.

New highly diastereoselective Perkin/Michael addition domino reaction between homophthalic anhydride and aromatic aldehydes: A facile approach to blue-fluorescent dibenzo[c,h]chromenones

Bogdanov, Milen G.,Mitrev, Yavor,Tiritiris, Ioannis

supporting information; experimental part, p. 377 - 384 (2011/02/28)

A series of new trans-11-aryl-6-oxo-6H-dibenzo[c,h]chromene-12-carboxylic acids has been synthesised through anew Perkin/Michael addition domino reaction between homophthalic anhydride and aromatic aldehydes. The synthesis is straightforward and gives goo

Reaction discovery using microfluidic-based multidimensional screening of polycyclic Iminium Ethers

Treece, Jennifer L.,Goodell, John R.,Velde, David Vander,Porco Jr., John A.,Aube, Jeffrey

supporting information; experimental part, p. 2028 - 2038 (2010/06/20)

"Chemical Equation Presented" Polycyclic iminium ethers are ambident electrophilic intermediates that react with a range of nucleophiles in a highly condition-dependent manner to afford densely functionalized lactams. In an effort to expand the scope of reactivity and assist in the generation of new chemotypes from these intermediates, several iminium, ethers were subjected to reaction screening using an automated microfluidics reaction platform. Application of this approach led to the discovery of several interesting reaction pathways involving the iminium ether intermediates that, will be described.

Facile and convenient syntheses of 6,11-dihydro-5H-indeno[1,2-c] isoquinolin-5-ones and 6,11-dihydro-5H-indolo[3,2-c]isoquinolin-5-one

Jagtap, Prakash G.,Baloglu, Erkan,Southan, Garry,Williams, William,Roy, Aloka,Nivorozhkin, Alexander,Landrau, Nelson,Desisto, Kevin,Salzman, Andrew L.,Szabo, Csaba

, p. 1753 - 1756 (2007/10/03)

(Chemical Equation Presented) The synthesis of 6,11-dihydro-5H-indeno[1,2- c]isoquinolin-5-ones from the base-promoted condensation reaction of homophthalic anhydride and 2-(bromomethyl)-benzonitrile and a convenient method for the synthesis of indolo[3,2-c]isoquinolinones are described.

Novel Reactions: Part II - Homologous Condensations of Phthalic and Homophthalic Anhydrides; 13C NMR and Mechanism of Formation of Isocoumarins

Ayyangar, N. R.,Srinivasan, K. V.

, p. 1108 - 1115 (2007/10/02)

The condensations of phthalic and homophthalic anhydrides with homophthalic acid do not yield the corresponding diketones (5 and 10) and/or their tautomeric enols, but give the corresponding isocoumarin derivatives (6 and 11) along with their spirodilactones (7 and 12).The UV, IR, PMR and mass spectral data suggest either the isocoumarin or the diketonic structures for the products.However, the structures have been unambiguously established by 13C NMR spectroscopic analysis.A plausible mechanism for the formation of isocoumarins has also been discussed.

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