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3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionic acid, also known as 3-(2-(trifluoromethyl)phenyl)propionic acid, is a monocarboxylic acid derived from propionic acid with a 2-(trifluoromethyl)phenyl group attached at the 3-position. It is characterized by its white powder form and is recognized for its unique chemical properties.

94022-99-8

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94022-99-8 Usage

Uses

Used in Pharmaceutical Industry:
3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionic acid is utilized as a reactant in the synthesis of small molecule inhibitors targeting anthrax toxin. This application is crucial for developing potential treatments and countermeasures against anthrax infections, which can be life-threatening.
The specific use of 3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionic acid in the synthesis of anthrax toxin inhibitors highlights its importance in the ongoing research and development of new pharmaceuticals to combat biological threats and improve public health safety.

Check Digit Verification of cas no

The CAS Registry Mumber 94022-99-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,4,0,2 and 2 respectively; the second part has 2 digits, 9 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 94022-99:
(7*9)+(6*4)+(5*0)+(4*2)+(3*2)+(2*9)+(1*9)=128
128 % 10 = 8
So 94022-99-8 is a valid CAS Registry Number.
InChI:InChI=1/C10H9F3O2/c11-10(12,13)8-4-2-1-3-7(8)5-6-9(14)15/h1-4H,5-6H2,(H,14,15)

94022-99-8 Well-known Company Product Price

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  • Alfa Aesar

  • (H31876)  3-[2-(Trifluoromethyl)phenyl]propionic acid, 97%   

  • 94022-99-8

  • 1g

  • 426.0CNY

  • Detail
  • Alfa Aesar

  • (H31876)  3-[2-(Trifluoromethyl)phenyl]propionic acid, 97%   

  • 94022-99-8

  • 5g

  • 1707.0CNY

  • Detail

94022-99-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-[2-(trifluoromethyl)phenyl]propanoic acid

1.2 Other means of identification

Product number -
Other names 3-[2-(Trifluoromethyl)phenyl]propionic 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:94022-99-8 SDS

94022-99-8Relevant academic research and scientific papers

Method for synthesizing phenylpropionic acid compounds through heterogeneous palladium metal catalysis

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Paragraph 0062-0069, (2021/04/21)

The invention discloses a method for synthesizing phenylpropionic acid compounds by heterogeneous catalysis. The method comprises the following steps: sequentially adding Pd@POL, toluene, styrene, formic acid and acetic anhydride into a reaction flask, stirring the reaction mixture at 80 DEG C to react, cooling the reaction solution to room temperature after the reaction is finished, diluting with dichloromethane, and transferring the solution into a separating funnel, washing with a sodium hydroxide solution, acidifying the water layer with a hydrochloric acid aqueous solution, extracting with dichloromethane, merging organic phases, drying with anhydrous sodium sulfate, and carrying out vacuum concentration to obtain the phenylpropionic acid compound. The method can remove heavy metal residues, is green and environment-friendly, is simple to operate and easy to implement, and the prepared phenylpropionic acid compound has a good application prospect.

Pyrimidinedione derivative capable of inhibiting monocarboxylate transporter

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Paragraph 0452; 0456, (2019/03/26)

The invention relates to a pyrimidinedione derivative capable of inhibiting a monocarboxylate transporter, the pyrimidinedione derivative is a formula (I) compound and/or a pharmaceutically acceptablesalt thereof, and/or a stereoisomer thereof, and/or a solvate thereof, the compound has the effect of inhibiting the activity of the monocarboxylate transporter, and also comprises a pharmaceutical composition containing the formula (I) compound and the use of the pharmaceutical composition in treatment.

A Ligand-Directed Catalytic Regioselective Hydrocarboxylation of Aryl Olefins with Pd and Formic Acid

Liu, Wei,Ren, Wenlong,Li, Jingfu,Shi, Yuan,Chang, Wenju,Shi, Yian

supporting information, p. 1748 - 1751 (2017/04/11)

An effective Pd-catalyzed hydrocarboxylation of aryl olefins with Ac2O and formic acid is described. A variety of 2- and 3-arylpropanoic acids can be regioselectively formed by the judicious choice of ligand without the use of toxic CO gas.

AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF

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Page/Page column 68, (2010/04/25)

Provided is a novel amine compound represented by the following formula (I) having a superior peripheral blood lymphocyte decreasing action and superior in the immunosuppressive action, rejection suppressive action and the like, which shows decreased side effects of, for example, bradycardia and the like, or a pharmaceutically acceptable acid addition salt thereof, or a hydrate thereof, or a solvate thereof. wherein each symbol is as defined in the specification.

6-Membered heterocyclic compound and use thereof

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Page/Page column 206, (2008/06/13)

A compound represented by the general formula (I) or a salt thereof: [T represents oxygen atom and the like; V represents CH2 and the like; RO1 to RO4 represent hydrogen atom and the like; A represents a linear alkylene group or linear alkenylene group having 2 to 8 carbon atoms and the like; D represents carboxyl group and the like; X represents ethylene group, trimethylene group and the like; E represents —CH(OH)— group and the like; and W represent —U1—(RW1)(RW2)—U2—U3 group (U1 represents a single bond, an alkylene group having 1 to 4 carbon atoms and the like; RW1 and RW2 represent hydrogen atom and the like; U2 represents a single bond, an alkylene group having 1 to 4 carbon atoms and the like; and U3 represent an alkyl group having 1 to 8 carbon atoms and the like), or a residue of a carbon ring or heterocyclic compound], which can be utilized as an active ingredient of medicaments effective for prophylactic and/or therapeutic treatment of skeletal diseases such as osteoporosis and fracture, glaucoma, ulcerative colitis and the like.

Direct synthesis of 3-arylpropionic acids by tetraphosphine/palladium catalysed Heck reactions of aryl halides with acrolein ethylene acetal

Lemhadri, Mhamed,Doucet, Henri,Santelli, Maurice

, p. 11533 - 11540 (2007/10/03)

Through the use of [PdCl(C3H5)]2/Cis,cis, cis-1,2,3,4-tetrakis(diphenylphosphinomethyl)cyclopentane as a catalyst, a range of aryl bromides undergoes Heck reaction with acrolein ethylene acetal. With this acetal, the selective formation of 3-arylpropionic acids/esters was observed. The functional group tolerance on the aryl halide is remarkable; substituents such as fluoro, methyl, methoxy, acetyl, formyl, benzoyl, nitro or nitrile are tolerated. Furthermore, this catalyst can be used at low loading, even for reactions of sterically hindered aryl bromides. Graphical Abstract.

Synthesis and in vitro evaluation of human FP-receptor selective prostaglandin analogues

DeLong, Mitchell A.,Amburgey, Jack,Taylor, Cynthia,Wos, John A.,Soper, David L.,Wang, Yili,Hicks, Renee

, p. 1519 - 1522 (2007/10/03)

The in vitro evaluation of a series of saturated prostaglandins revealed that compounds with omega chin aromatic rings retain nanomolar potency for the human prostaglandin F receptor (hFP receptor), exemplified by compound 8. In contrast, the double bonds are required for activity in the series with an acyclic omega chain as in PGF(2α). (C) 2000 Published by Elsevier Science Ltd.

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