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2-Propan-2-ylbenzoic acid, also known as α,α-dimethylbenzeneacetic acid, is a chemical compound with the molecular formula C13H16O2. It belongs to the class of organic compounds known as benzoic acids. 2-propan-2-ylbenzoic acid is characterized by its unique chemical structure and properties, which make it a versatile molecule in various applications.

2438-04-2

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2438-04-2 Usage

Uses

Used in Pharmaceutical Industry:
2-Propan-2-ylbenzoic acid is used as a non-steroidal anti-inflammatory drug (NSAID) for its ability to treat pain, inflammation, and fever. It functions by inhibiting the production of inflammatory chemicals in the body, providing relief from various conditions that involve inflammation and pain.
Used in Organic Chemistry:
Due to its unique chemical structure, 2-propan-2-ylbenzoic acid may have potential applications in the field of organic chemistry. Its properties can be utilized in the synthesis of other organic compounds and in various chemical reactions.
Used in Material Science:
2-propan-2-ylbenzoic acid's unique properties also suggest potential applications in material science. 2-Propan-2-ylbenzoic acid could be used in the development of new materials with specific characteristics, such as improved stability or reactivity, depending on the requirements of the industry.

Check Digit Verification of cas no

The CAS Registry Mumber 2438-04-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,4,3 and 8 respectively; the second part has 2 digits, 0 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 2438-04:
(6*2)+(5*4)+(4*3)+(3*8)+(2*0)+(1*4)=72
72 % 10 = 2
So 2438-04-2 is a valid CAS Registry Number.
InChI:InChI=1/C10H12O2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-7H,1-2H3,(H,11,12)

2438-04-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Isopropylbenzoic acid

1.2 Other means of identification

Product number -
Other names 2-Isopropylbenzoesaeure

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:2438-04-2 SDS

2438-04-2Relevant academic research and scientific papers

Zinc-Catalyzed Asymmetric Hydrosilylation of Cyclic Imines: Synthesis of Chiral 2-Aryl-Substituted Pyrrolidines as Pharmaceutical Building Blocks

W?glarz, Izabela,Michalak, Karol,Mlynarski, Jacek

supporting information, p. 1317 - 1321 (2020/12/09)

The first successful enantioselective hydrosilylation of cyclic imines promoted by a chiral zinc complex is reported. In situ generated zinc-ProPhenol complex with silane afforded pharmaceutically relevant enantioenriched 2-aryl-substituted pyrrolidines in high yields and with excellent enantioselectivities (up to 99% ee). The synthetic utility of presented methodology is demonstrated in an efficient synthesis of the corresponding chiral cyclic amines, being pharmaceutical drug precursors to the Aticaprant and Larotrectinib. (Figure presented.).

Synthesis of planar chiral [2.2]paracyclophane-based bisoxazoline ligands bearing no central chirality and application to Cu-catalyzed asymmetric O-H insertion reaction

Kitagaki, Shinji,Sugisaka, Kenta,Mukai, Chisato

supporting information, p. 4833 - 4836 (2015/05/05)

C2-symmetric planar chiral [2.2]paracyclophane-based bisoxazoline ligands, characterized by the inserted benzene spacer, which has a sterically demanding substituent, were synthesized and it was shown that up to 80% ee was obtained for the Cu-catalyzed O-H insertion reaction of α-diazo esters without the aid of the central chirality.

Iodoarene-Catalyzed Stereospecific Intramolecular sp3 C-H Amination: Reaction Development and Mechanistic Insights

Zhu, Chendan,Liang, Yong,Hong, Xin,Sun, Heqing,Sun, Wei-Yin,Houk,Shi, Zhuangzhi

supporting information, p. 7564 - 7567 (2015/06/30)

A new strategy is reported for intramolecular sp3 C-H amination under mild reaction conditions using iodoarene as catalyst and m-CPBA as oxidant. This C-H functionalization involving iodine(III) reagents generated in situ occurs readily at sterically hindered tertiary C-H bonds. DFT (M06-2X) calculations show that the preferred pathway involves an iodonium cation intermediate and proceeds via an energetically concerted transition state, through hydride transfer followed by the spontaneous C-N bond formation. This leads to the experimentally observed amination at a chiral center without loss of stereochemical information.

Inclusion complex containing epoxy resin composition for semiconductor encapsulation

-

, (2014/03/21)

The invention is an epoxy resin composition for sealing a semiconductor, including (A) an epoxy resin and (B) a clathrate complex. The clathrate complex is one of (b1) an aromatic carboxylic acid compound, and (b2) at least one imidazole compound represented by formula (II): wherein R2 represents a hydrogen atom, C1-C10 alkyl group, phenyl group, benzyl group or cyanoethyl group, and R3 to R5 represent a hydrogen atom, nitro group, halogen atom, C1-C20 alkyl group, phenyl group, benzyl group, hydroxymethyl group or C1-C20 acyl group. The composition has improved storage stability, retains flowability when sealing, and achieves an effective curing rate applicable for sealing delicate semiconductors.

Pincer thioamide and pincer thioimide palladium complexes catalyze highly efficient negishi coupling of primary and secondary alkyl zinc reagents at room temperature

Wang, Haibo,Liu, Jing,Deng, Yi,Min, Tianyin,Yu, Ganxiang,Wu, Xiaojun,Yang, Zhen,Lei, Aiwen

supporting information; experimental part, p. 1499 - 1507 (2009/08/07)

Pincer thioamide PdII complex 2 was prepared, and its reaction with cyclohexylzinc chloride yielded novel pincer thioimide PdII complex 3 besides Pd0 species. The structures of complexes 2 and 3 were confirmed by X-ray ana

SUBSTITUTED PHENYLSULFAMOYL COMPOUNDS AS PPAR AGONISTS

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Page/Page column 64-65, (2010/11/28)

The present invention is directed at substituted phenylsulfamoyl compounds of Formula (I), pharmaceutical compositions containing such compounds and the use of such compounds as peroxisome proliferator activator receptor (PPAR) agonists. PPAR alpha activa

Benzoxazole carboxamides for treating CINV and IBS-D

-

Page/Page column 71, (2008/06/13)

Compounds of formulae I and II: are disclosed as 5-HT3 inhibitors. Those compounds that exhibit central activity are useful in treating CINV; those that inhibit peripheral receptors are useful to treat IBS-D.

Palladium(II)-catalyzed sequential hydroxylation-carboxylation of biphenyl using formic acid as a carbonyl source

Shibahara, Fumitoshi,Kinoshita, Shinsuke,Nozaki, Kyoko

, p. 2437 - 2439 (2007/10/03)

(Equation Presented) A simultaneous hydroxylation-carboxylation of biphenyl occurred to give 4′-hydroxy-4-biphenylcarboxylic acid, which has wide potential application as a polyester monomer.

13C magnetic resonance studies. 142. The fate of highly substituted acyclic ketones in strong base: β-enolization, Haller-Bauer cleavage, and an alkyl to aryl acyl shift

Dyllick-Brenzinger, Rainer A.,Patel, Vijay,Rampersad, Mollin B.,Stothers, J. B.,Thomas, Shirley E.

, p. 1106 - 1115 (2011/08/10)

Di-tert-butyl ketone (2a), 5,5,7,7-tetramethyl-6-undecanone (2b), and 2,4-dimethyl-2,4-diphenyl-3-pentanone (2d) have been found to undergo slow rearrangement by β-proton abstraction from the α-methyl groups upon treatment with t-BuO-/t-BuOH/>185 deg C.This is in contrast to the absence of such rearrangement in cyclic systems.It is the only significant process observed for 2a and 2b, whereas with 2d and its monomethyl analog 22 Haller-Bauer type cleavage and an unprecedented 1,3-acyl shift from sp3 to sp2 carbon accompany the β-enolate rearrangement.The rates of 1H/2H exchange of the methyl protons in 2a, b were found to be similar to those reported for a variety of cyclic systems but this exchange does not occur in 2d, where only aryl proton exchange was observed.

Reaction of O-Silylated Enolates of Carboxylic Esters with Benzyne. A Convenient Route to ortho-Alkylbenzoic Acids

Ali, Syed Masarrat,Tanimoto, Shigeo

, p. 1465 - 1466 (2007/10/02)

The reaction of O-silylated enolates of carboxylic esters with benzyne proceeds smoothly to afford ortho-alkylbenzoic acids in moderate yields.

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