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4-isopropoxy-3-(trifluoromethyl)benzoic acid is a chemical compound with the molecular formula C12H11F3O3. It is a white crystalline solid and is an aromatic carboxylic acid derivative. 4-isopropoxy-3-(trifluoroMethyl)benzoic acid possesses unique chemical properties that make it valuable in various applications.

213598-16-4

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213598-16-4 Usage

Uses

Used in Pharmaceutical Industry:
4-isopropoxy-3-(trifluoromethyl)benzoic acid is used as an intermediate in the synthesis of pharmaceuticals for its unique chemical properties, contributing to the development of new drugs and medications.
Used in Agrochemical Industry:
In the agrochemical industry, 4-isopropoxy-3-(trifluoromethyl)benzoic acid serves as an intermediate, playing a crucial role in the synthesis of agrochemicals that are vital for agricultural advancements and pest control.
Used in Organic Synthesis:
4-isopropoxy-3-(trifluoromethyl)benzoic acid is used as a building block in the production of various types of organic compounds, showcasing its versatility and importance in creating a wide range of chemical products.
Used as a Reagent in Organic Synthesis:
4-isopropoxy-3-(trifluoroMethyl)benzoic acid can be used as a reagent in organic synthesis, facilitating various chemical reactions and contributing to the synthesis of complex organic molecules.
Used in Research and Development Laboratories:
4-isopropoxy-3-(trifluoromethyl)benzoic acid is utilized in research and development laboratories for various chemical and biochemical studies, further expanding its applications in the scientific community.
Overall, 4-isopropoxy-3-(trifluoromethyl)benzoic acid has significant applications in the fields of medicinal chemistry, agricultural chemistry, and organic synthesis, making it an essential compound in these industries.

Check Digit Verification of cas no

The CAS Registry Mumber 213598-16-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,1,3,5,9 and 8 respectively; the second part has 2 digits, 1 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 213598-16:
(8*2)+(7*1)+(6*3)+(5*5)+(4*9)+(3*8)+(2*1)+(1*6)=134
134 % 10 = 4
So 213598-16-4 is a valid CAS Registry Number.
InChI:InChI=1/C11H11F3O3/c1-6(2)17-9-4-3-7(10(15)16)5-8(9)11(12,13)14/h3-6H,1-2H3,(H,15,16)

213598-16-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-propan-2-yloxy-3-(trifluoromethyl)benzoic acid

1.2 Other means of identification

Product number -
Other names 4-isopropoxy-3-(trifluoromethyl)benzoate

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:213598-16-4 SDS

213598-16-4Downstream Products

213598-16-4Relevant academic research and scientific papers

Carboxylic acid compound containing diphenyl oxadiazole, and preparation method and medical application of compound

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, (2019/07/16)

The invention relates to the field of medicinal chemistry, and particularly relates to a carboxylic acid compound (I) containing a diphenyl oxadiazole skeleton, a preparation method and pharmaceuticalpreparation of the compound, and a use of the compound

(7-Benzyloxy-2,3-dihydro- 1H -pyrrolo[1,2-a]indol-1-yl)acetic acids as S1P1 functional antagonists

Buzard, Daniel J.,Lopez, Luis,Moody, Jeanne,Kawasaki, Andrew,Schrader, Thomas O.,Kasem, Michelle,Johnson, Ben,Zhu, Xiuwen,Thoresen, Lars,Kim, Sun Hee,Gharbaoui, Tawfik,Sengupta, Dipanjan,Calvano, Lorene,Krishnan, Ashwin,Gao, Yinghong,Semple, Graeme,Edwards, Jeff,Barden, Jeremy,Morgan, Michael,Usmani, Khawja,Chen, Chuan,Sadeque, Abu,Chen, Weichao,Christopher, Ronald J.,Thatte, Jayant,Fu, Lixia,Solomon, Michelle,Whelan, Kevin,Al-Shamma, Hussien,Gatlin, Joel,Gaidarov, Ibragim,Anthony, Todd,Le, Minh,Unett, David J.,Stirn, Scott,Blackburn, Anthony,Behan, Dominic P.,Jones, Robert M.

supporting information, p. 1334 - 1339 (2015/02/02)

S1P1 is a validated target for treatment of autoimmune disease, and functional antagonists with superior safety and pharmacokinetic properties are being sought as second generation therapeutics. We describe the discovery and optimization of (7-benzyloxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetic acids as potent, centrally available, direct acting S1P1 functional antagonists, with favorable pharmacokinetic and safety properties.

PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS

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Paragraph 0381; 0382, (2013/03/26)

The invention relates to pyrrolopyrazine-spirocyclic piperidine amide compounds useful as inhibitors of ion channels. The invention also provides pharmaceutically acceptable compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various disorders.

PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF

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Page/Page column 111, (2011/10/03)

The present invention relates to salts, processes, and process intermediates useful in the preparation of (R)-2-(9-chloro-7-(4-isopropoxy-3-(trifluoromethyl)benzyloxy)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetic acid of Formula (Ia), salts, and crystalline forms thereof. The compound (R)-2-(9-chloro-7-(4-isopropoxy-3-(trifluoromethyl)benzyloxy)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetic acid has been identified as an S1P1 receptor modulator that is useful in the treatment of S1P1 receptor-associated disorders, for example, diseases and disorders mediated by lymphocytes, transplant rejection, autoimmune diseases and disorders, inflammatory diseases and disorders (e.g., acute and chronic inflammatory conditions), cancer, and conditions characterized by an underlying defect in vascular integrity or that are associated with angiogenesis such as may be pathologic (e.g., as may occur in inflammation, tumor development, and atherosclerosis).

COMPOUNDS AS AGONISTS OF S1P1 RECEPTORS

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Page/Page column 31; 32, (2011/11/12)

Compounds of formula (I), processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of diseases mediated by S1P1 receptors.

OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP)

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Page/Page column 50, (2009/07/25)

The present application discloses oxadiazole based compounds of Formula (I) active on sphingosine-1-phosphate (S1P) in particular useful to treat lupus erythematosus. A is phenyl or a 5 or 6-membered heteroaryl ring; R1 is up to two substituent

Amine Compounds

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Page/Page column 158, (2008/12/08)

There is provided a compound exhibiting an activity of suppressing immune response with reduced adverse drug reactions, which compound is useful in the chemotherapy for preventing or treating, for example, a wide range of various autoimmune diseases including systemic erythematodes, chronic rheumatoid arthritis, Type I diabetes, inflammatory bowel disease, biliary cirrhosis, uveitis, multiple sclerosis or other disorders, or chronic inflammatory diseases, or cancers, lymphoma or leukemia, or resistance to organ or tissue transplantation or rejection against transplantation. Novel amine compounds having an S1P1/Edg1 receptor agonist effect, possible stereoisomers or racemic bodies of the compounds, or pharmacologically acceptable salts, hydrates or solvates of the compound, the stereoisomers or the racemic bodies, or prodrugs of the compounds, the stereoisomers, the racemic bodies, the salts, the hydrates or the solvates, are provided.

OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS

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Page/Page column 31-32, (2008/12/06)

The present invention relates to novel oxadiazole compounds of formula (I) having pharmacological activity, processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of various disorders.

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