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Benzoic acid, 2-(3-oxobutyl)-, also known as 2-(3-oxobutyl)benzoic acid or 2-(3-oxobutyl)benzene carboxylic acid, is an organic compound with the chemical formula C11H12O3. It is a derivative of benzoic acid, where a 3-oxobutyl group is attached to the 2-position of the benzene ring. Benzoic acid, 2-(3-oxobutyl)- is characterized by its molecular weight of 192.21 g/mol and a melting point of approximately 70-72°C. It is a white crystalline solid and is soluble in organic solvents such as ethanol and acetone. The compound has potential applications in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals due to its unique structure and reactivity.

7114-76-3

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7114-76-3 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 7114-76-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,1,1 and 4 respectively; the second part has 2 digits, 7 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 7114-76:
(6*7)+(5*1)+(4*1)+(3*4)+(2*7)+(1*6)=83
83 % 10 = 3
So 7114-76-3 is a valid CAS Registry Number.

7114-76-3SDS

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 2-(3-oxobutyl)benzoic acid

1.2 Other means of identification

Product number -
Other names 2-(3-oxo-butyl)-benzoic 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:7114-76-3 SDS

7114-76-3Downstream Products

7114-76-3Relevant academic research and scientific papers

OXYDATION DES TETRALONES PAR LE SUPEROXYDE DE POTASSIUM SOLUBILISE PAR ETHER-COURONNE

Hocquaux, Michel,Jacquet, Bernard,Vidril-Robert, Daniele,Maurette, Marie-Therese,Oliveros, Esther

, p. 533 - 536 (1984)

α and β-tetralones are oxidised in tetrahydrofuran solution by means of potassium superoxide with crown-ether to give 2-hydroxy-1,4 naphtoquinone with fair to good yields.

Azolium/Hydroquinone Organo-Radical Co-Catalysis: Aerobic C?C-Bond Cleavage in Ketones

Nakatsuji, Yuya,Kobayashi, Yusuke,Masuda, Sakyo,Takemoto, Yoshiji

supporting information, p. 2633 - 2637 (2021/02/03)

Organo-radical catalysts have recently attracted great interest, and the development of this field can be expected to broaden the applications of organocatalysis. Herein, the first example of a radical-generating system is reported that does not require any photoirradiation, radical initiators, or preactivated substrates. The oxidative C?C-bond cleavage of 2-substituted cyclohexanones was achieved using an azolium salt and a hydroquinone as co-catalysts. A catalytic mechanism was proposed based on the results of diffusion-ordered spectroscopy and cyclic voltammetry measurements, as well as computational studies.

Iridium-Catalyzed Cycloisomerization of Alkynoic Acids: Synthesis of Unsaturated Lactones

Huang, Yi,Zhang, Xianghe,Dong, Xiu-Qin,Zhang, Xumu

, p. 782 - 788 (2020/01/08)

The iridium-catalyzed cycloisomerization of various alkynoic acids was successfully developed, and a series of five-, six-, and especially seven-membered unsaturated lactones were constructed with moderate yields and excellent regioselectivities (up to 68

Regioselective C?H Alkylation via Carboxylate-Directed Hydroarylation in Water

Zhang, Guodong,Jia, Fan,Goo?en, Lukas J.

supporting information, p. 4537 - 4541 (2018/03/21)

In the presence of catalytic [RuCl2(p-cym)]2 and using Li3PO4 as the base, benzoic acids react with olefins in water to afford the corresponding 2-alkylbenzoic acids in moderate to excellent yields. This C?H alkylation process is generally applicable to diversely substituted electron-rich and electron-deficient benzoic acids, along with α,β-unsaturated olefins including unprotected acrylic acid. The widely available carboxylate directing group can be removed or utilized for further derivatization. Mechanistic investigations revealed that the transformation proceeds via a ruthenacycle intermediate.

Benzoyl 2-methyl indoles as selective PPARγ modulators

Acton III, John J.,Black, Regina M.,Jones, A. Brian,Moller, David E.,Colwell, Lawrence,Doebber, Thomas W.,MacNaul, Karen L.,Berger, Joel,Wood, Harold B.

, p. 357 - 362 (2007/10/03)

A series of selective PPARγ modulators (SPPARγMs) and their development from hPPARγ active screening leads 1 and 2 is described. SPPARγM 24 displayed robust anti-diabetic activity with an improved therapeutic window in comparison to a PPARγ full agonist in a rodent efficacy model. Routine screening for human PPAR ligands yielded compounds 1 and 2, both of which were sub-micromolar hPPARγ agonists. Synthetic modifications of these leads led to a series of potent substituted 3-benzyl-2-methyl indoles, a subset of which were noted to be selective PPARγ modulators (SPPARγMs). SPPARγM 24 displayed robust anti-diabetic activity with an improved therapeutic window in comparison to a PPARγ full agonist in a rodent efficacy model.

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