167760-75-0

Basic information

• Product Name: 4-amino-3-trifluoromethyl-benzoic acid methyl ester
• Synonyms: 4-amino-3-trifluoromethyl-benzoic acid methyl ester;Methyl 4-Amino-3-trifluoromethylbenzoate;Methyl 3-(trifluoroMethyl)-4-aMinobenzoate;Methyl 4-amino-3-(trifluoromethyl)
• CAS NO: 167760-75-0
• Molecular Formula: C₉H₈F₃NO₂
• Molecular Weight: 219.16
• Mol File: 167760-75-0.mol

Chemical Properties

• Boiling Point: 305.7°Cat760mmHg
• Flash Point: 138.7°C
• Appearance: /
• Density: 1.343
• Vapor Pressure: 0.000808mmHg at 25°C
• Refractive Index: 1.491
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• PKA: -0.67±0.10(Predicted)
• CAS DataBase Reference: 4-amino-3-trifluoromethyl-benzoic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 4-amino-3-trifluoromethyl-benzoic acid methyl ester(167760-75-0)
• EPA Substance Registry System: 4-amino-3-trifluoromethyl-benzoic acid methyl ester(167760-75-0)

Safety Data

• Hazardous Substances Data: 167760-75-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
4-amino-3-trifluoromethyl-benzoic acid methyl ester is used as an intermediate in the synthesis of various drugs for its ability to contribute to the development of new pharmaceutical agents.
Used in Agrochemical Production:
In the agrochemical industry, 4-amino-3-trifluoromethyl-benzoic acid methyl ester is utilized in the production of various agrochemicals, contributing to the development of effective crop protection products.
Used in Organic Synthesis:
4-amino-3-trifluoromethyl-benzoic acid methyl ester serves as a building block in the creation of other organic compounds, playing a crucial role in the synthesis of a wide range of chemical entities.
Used in Medicinal Chemistry Research:
Due to its potential biological activities, 4-amino-3-trifluoromethyl-benzoic acid methyl ester is an interesting target for research in medicinal chemistry, where it may lead to the discovery of new therapeutic agents and contribute to advancements in the field.

InChI:InChI=1/C9H8F3NO2/c1-15-8(14)5-2-3-7(13)6(4-5)9(10,11)12/h2-4H,13H2,1H3

Upstream product

• 957207-00-0 4-nitro-3-(trifluoromethyl)benzoic acid methyl ester 
• 400-76-0 4-amino-3-(trifluoromethyl)benzoic acid 
• 18107-18-1 diazomethyl-trimethyl-silane 
• 320-38-7 4-nitro-3-(trifluoromethyl)benzoic acid 
• 887144-94-7 Togni's reagent II 
• 619-45-4 4-methoxycarbonyl aniline 
• 67-56-1 methanol 
• 327-74-2 4-cyano-2-trifluoromethylaniline 

Downstream Products

• 107317-58-8 4-bromo-3-trifluoromethylbenzoic acid methyl ester 
• 952233-13-5 methyl 4-hydrazino-3-trifluoromethyl-benzoate hydrochloride 

Relevant articles and documents

Preparation method of trifluoromethylated aniline compound

The invention provides a preparation method of a trifluoromethylated aniline compound shown in a formula (IIA) or a formula (IIB). The method comprises the following steps: by taking a mixed solvent of DMF and water in a volume ratio of 1:(1-4) as a reaction medium, adding an aniline compound shown in a formula (IA) or a formula (IB), 1-(trifluoromethyl)-1,2-benziodoxol-3-(1H)-one and a photocatalyst, and reacting for 2-6 hours at room temperature under blue light; and carrying out post-treatment on the obtained reaction mixture to obtain the trifluoromethylated aniline compound as shown in the formula (IIA) or the formula (IIB). According to the method, by the photocatalyst, the reaction is driven to be carried out under the irradiation of visible light, the reaction conditions are mild,the site selectivity is high, the reaction is efficient, green and environment-friendly, the reaction yield can reach 90%, and the product can be prepared by only one step.

ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS

The disclosure relates to activators of FXR useful in the treatment of autoimmune disorders, liver disease, intestinal disease, kidney disease, cancer, and other diseases in which FXR plays a role, having the Formula (I): wherein L1, L2, A, B, R1, R2, R3, and R4 are described herein.

ALKYNE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS

Provided are compounds of formula (Ia) and pharmaceutically acceptable salts thereof, wherein A, B, R 1, R 2, m and n are as defined herein, which are active as inhibitors of S-Nitrosoglutathione reductase (GSNOR). These compounds prevent, inhibit, or suppress the action of GSNOR and are therefore useful in the treatment of GSNOR mediated diseases, disorders, syndromes or conditions such as, e.g., pulmonary hypertension, acute respiratory distress syndrome (ARDS), asthma, bronchospasm, cough, pneumonia, pulmonary fibrosis, interstitial lung diseases, cystic fibrosis and chronic obstructive pulmonary disease (COPD).

A for the preparation of ortho-trifluoromethyl-aniline or its derivatives (by machine translation)

The invention discloses a method for preparing o-trifluoromethyl phenylamine and derivatives thereof. According to the method, phenylamine or a phenylamine derivative serving as raw material reacts with a trivalent iodine reagent compound 2 in a solution under the protection of argon or nitrogen and illumination condition in the presence of tri(2-phenylpyridine)-iridium [Ir(ppy)3] serving as a catalyst to produce o-trifluorophenylamine or derivatives thereof 3, wherein the trivalent iodine reagent compound 2 has a structure shown in the specification. The method is mild in reaction conditions, the amino does not need to be protected, and trifluoromethyl substituted phenylamine or phenylamine derivatives can be directly obtained.

Visible-light-promoted radical C-H trifluoromethylation of free anilines

The trifluoromethyl-substituted anilines are biologically active compounds and useful building blocks. In this communication, we have developed the first visible-light-induced radical trifluoromethylation of free anilines with the commercially available and easily handled Togni reagent at room temperature. The resulting products were successfully transformed into a variety of valuable fluorine-containing molecules and heterocyclic compounds. This protocol provides an economical and powerful route to trifluoromethylated free anilines.

ALGORITHM FOR DESIGNING IRREVERSIBLE INHIBITORS

The invention is an algorithm and method for designing an inhibitor that covalently binds a target polypeptide. The algorithm and method can be used to rapidly and efficiently convert reversible inhibitors into irreversible inhibitors.

CARBOXYL- OR HYDROXYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES

This invention relates to novel carboxyl- or hydroxyl-substituted benzimidazole derivatives of formula (I) wherein R1 to R6 are as defined in the description and in the claims, as well as physiologically acceptable salts and esters thereof. These compounds bind to FXR and can be used as medicaments.

HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE

To provide a novel compound which has S1P receptor agonistic activity, exhibits excellent immunosuppressing effect, gives less adverse side effects, and can be orally administered. The invention provides a compound represented by general formula (I) (wherein A is a single bond, -O-, or - CH2-; R1 represents a hydrogen atom or a C1-C6 alkyl group, and V represents any one group selected from among the following groups (1) to (3) : (1) -G1-, (2) -G2-N(R2) -G3-, and (3) a group represented by formula 2, wherein each of Z1 and Z2 represents a hydrogen atom or a C1-C6 alkyl group, Z3 represents a hydrogen or the like, Q represents -CH2-O- or the like, and Y represents a group represented by foumula 3, a salt thereof, or a solvate thereof.

THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE

Disclosed are compounds of general formula (I), wherein the groups R1, R2, Ra and Rb have the meanings given in the claims and specification, the tautomers, racemates, enantiomers, diastereomers and the mixtures