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2-[(2-Propynyloxy)carbonyl]benzoic acid is a chemical compound with the molecular formula C12H10O4. It is an organic compound that belongs to the class of benzoic acids, characterized by the presence of a carboxylic acid group (-COOH) attached to a benzene ring. The compound features a unique structure where a propargyloxycarbonyl group (-C≡CCH2O-CO-) is attached to the 2-position of the benzoic acid. This specific arrangement of atoms and functional groups endows the molecule with distinct chemical properties and potential applications in various fields, such as pharmaceuticals, materials science, and chemical research.

6139-61-3

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6139-61-3 Usage

Type of compound

Carboxylic acid derivative

Functional groups

Propynyl group
Benzoic acid group

Usage in organic synthesis

Building block for the preparation of various pharmaceuticals and agrochemicals

Industrial applications

Production of liquid crystals
Synthesis of other organic compounds as a reagent

Potential properties of interest

Antimicrobial
Anti-inflammatory

Field of relevance

Organic chemistry

Check Digit Verification of cas no

The CAS Registry Mumber 6139-61-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,1,3 and 9 respectively; the second part has 2 digits, 6 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 6139-61:
(6*6)+(5*1)+(4*3)+(3*9)+(2*6)+(1*1)=93
93 % 10 = 3
So 6139-61-3 is a valid CAS Registry Number.

6139-61-3Relevant academic research and scientific papers

Synthesis of New Dialkyl 2,2′-[Carbonyl bis (azanediyl)]dibenzoates via Curtius Rearrangement

Yassine, Hasna,Bouali, Jamila,Oumessaoud, Asmaa,Ourhzif, El Mahdi,Hamri, Salha,Hafid, Abderrafia,Khouili, Mostafa,Pujol, Maria Dolors

, p. 1971 - 1979 (2021/01/21)

The 2-(alkylcarbonyl)benzoic acids obtained by esterification of phthalic anhydride are converted into azide derivatives: alkyl 2-[(azidocarbonyl)amino]benzoates and to ureas: dialkyl 2,2′-[carbonyl bis (azanediyl)]dibenzoates. These transformations were carried out using classical Curtius rearrangement conditions in the presence of diphenylphosphoryl azide (DPPA) in a basic medium, followed by hydrolysis. Subsequently, a final condensation reaction of these urea derivatives enabled us to obtain, for the first time, the new alkyl derivatives, alkyl 2-[2,4-dioxo-1,2-dihydroquinazolin-3(4 H)-yl]benzoates. All the new compounds obtained in satisfactory yields were characterized by 1H and 13C NMR, and by X-ray crystallographic analysis.

Highly selective deprotection of tert-butyl esters using ytterbium triflate as a catalyst under mild conditions

Sridhar, P. Ramu,Sinha, Surajit,Chandrasekaran

, p. 157 - 160 (2007/10/03)

Ytterbium triflate catalyses the deprotection of tert-butyl esters selectively in the presence of other esters under mild conditions in almost quantitative yields. The reactions are carried out in nitromethane (45°-50°C) using 5 mole percent of the catalyst.

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