36701-89-0

Basic information

• Product Name: 2-[3-(TRIFLUOROMETHYL)PHENOXY]NICOTINIC ACID
• Synonyms: 2-[3-(TRIFLUOROMETHYL)PHENOXY]NICOTINIC ACID;2-(3-(trifluoromethyl)phenoxy)-3-pyridinecarboxylicaci;2-(3-(trifluoromethyl)phenoxy)-3-pyridinecarboxylicacid;2-[3-(trifluoroMethyl)phenoxy]nicotiric acid;2-[3-(Trifluoromethyl)phenoxy]pyridine-3-carboxylic acid, 3-[(3-Carboxypyridin-2-yl)oxy]benzotrifluoride
• CAS NO: 36701-89-0
• Molecular Formula: C₁₃H₈F₃NO₃
• Molecular Weight: 283.2
• Mol File: 36701-89-0.mol

Chemical Properties

• Melting Point: 156-159°C
• Boiling Point: 366°Cat760mmHg
• Flash Point: 175.2°C
• Appearance: /
• Density: 1.421g/cm³
• Vapor Pressure: 5.31E-06mmHg at 25°C
• Refractive Index: 1.541
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: DMSO (Slightly), Methanol (Slightly)
• CAS DataBase Reference: 2-[3-(TRIFLUOROMETHYL)PHENOXY]NICOTINIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[3-(TRIFLUOROMETHYL)PHENOXY]NICOTINIC ACID(36701-89-0)
• EPA Substance Registry System: 2-[3-(TRIFLUOROMETHYL)PHENOXY]NICOTINIC ACID(36701-89-0)

Safety Data

• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37
• HazardClass: IRRITANT
• Hazardous Substances Data: 36701-89-0(Hazardous Substances Data)

Usage

Uses

Used in Chemical Synthesis:
2-[3-(TRIFLUOROMETHYL)PHENOXY]NICOTINIC ACID is used as a reagent for the preparation of difluoroalkylarenes. Its application is particularly relevant in photocatalytic alkylation reactions involving trifluoromethylarenes and alkenes, which are important in the synthesis of various organic compounds and materials.
In the Chemical Industry:
2-[3-(TRIFLUOROMETHYL)PHENOXY]NICOTINIC ACID serves as a key intermediate in the production of complex organic molecules, especially those requiring the introduction of difluoroalkyl groups. Its use in this context is crucial for the development of new pharmaceuticals, agrochemicals, and advanced materials with improved properties.
In the Pharmaceutical Industry:
2-[3-(TRIFLUOROMETHYL)PHENOXY]NICOTINIC ACID may also find applications in the pharmaceutical industry, where it could be utilized in the design and synthesis of novel drug candidates. Its unique structure and reactivity could potentially lead to the development of new therapeutic agents with enhanced efficacy and selectivity.
In the Research and Development Sector:
2-[3-(TRIFLUOROMETHYL)PHENOXY]NICOTINIC ACID is used as a research tool to study the reactivity and properties of trifluoromethylarenes and their derivatives. This knowledge can be applied to develop new synthetic methods, improve existing processes, and explore the potential of these compounds in various applications.
Overall, 2-[3-(TRIFLUOROMETHYL)PHENOXY]NICOTINIC ACID is a versatile and valuable compound with a wide range of applications across different industries, particularly in chemical synthesis, pharmaceutical development, and research and development. Its unique structure and reactivity make it an essential component in the preparation of various organic compounds and materials.

InChI:InChI=1/C13H8F3NO3/c14-13(15,16)8-3-1-4-9(7-8)20-11-10(12(18)19)5-2-6-17-11/h1-7H,(H,18,19)

Upstream product

• 2942-59-8 2-chloronicotinic acid 
• 98-17-9 3-Trifluoromethylphenol 
• 83164-33-4 N-(2,4-difluorophenyl)-2-(3-trifluoromethylphenoxy)-3-pyridinecarboxamide 
• 72332-16-2 m-TFO^(1-) 
• 1570135-74-8 N-(2-(4,5-dihydrooxazol-2-yl)phenyl)nicotinamide 
• 59-67-6 nicotinic acid 

Downstream Products

• 40688-79-7 2-(3-trifluoromethylphenoxy)-3-pyridinecarboxylic acid chloride 
• 1224638-09-8 (3,4-dihydro-2H-quinolin-1-yl)-[2-(3-trifluoromethyl-phenoxy)-pyridin-3-yl]-methanone 
• 83164-33-4 N-(2,4-difluorophenyl)-2-(3-trifluoromethylphenoxy)-3-pyridinecarboxamide 
• 214756-71-5 N-[4-(1-Hydroxy-1-methyl-ethyl)-benzyl]-2-(3-trifluoromethyl-phenoxy)-nicotinamide 

Relevant articles and documents

Novel 2－ aryloxynicotinamide compound as well as preparation method and application thereof

The invention relates to a novel 2 - aryloxynicotinamide compound as well as a preparation method and application. of the 2 - aryloxynicotinamide compound as shown in the following formula (I). The compound can be used for preparing,aryloxy nicotinic acid compounds and derivatives thereof through a condensation reaction and a carbon hydrogen bond direct etherification method as shown in the formula shown in the specification. The invention relates to a novel method for preparing. 2 - aryloxynicotinic acid compounds and, derivatives thereof as shown in the structural formula shown. in the structural formula shown in the following formula. In Formula (I), the steric configuration of the carbon atom attached to the substituent R is R or S,Ar, and the aromatic substituent (is shown in more detail in the specification).

Design, Synthesis, and Herbicidal Activity of Novel Diphenyl Ether Derivatives Containing Fast Degrading Tetrahydrophthalimide

To seek new protoporphyrinogen oxidase (PPO) inhibitors with better biological activity, a series of novel diphenyl ether derivatives containing tetrahydrophthalimide were designed based on the principle of substructure splicing and bioisomerization. PPO inhibition experiments exhibited that 6c is the most potential compound, with the half-maximal inhibitory concentration (IC50) value of 0.00667 mg/L, showing 7 times higher activity than Oxyfluorfen (IC50 = 0.0426 mg/L) against maize PPO and similar herbicidal activities to Oxyfluorfen in weeding experiments in greenhouses and field weeding experiments. In view of the inspected bioactivities, the structure-activity relationship (SAR) of this series of compounds was also discussed. Crop selection experiments demonstrate that compound 6c is safe for soybeans, maize, rice, peanuts, and cotton at a dose of 300 g ai/ha. Accumulation analysis experiments showed that the accumulation of 6c in some crops (soybeans, peanuts, and cotton) was significantly lower than Oxyfluorfen. Current work suggests that compound 6c may be developed as a new herbicide candidate in fields.

NOVEL PHENYL AMIDE OR PYRIDYL AMIDE DERIVATIVES

This invention relates to novel phenyl amide or pyridyl amide derivatives of the formula wherein A1, A2, B1, B2 and R1 to R11 are as defined in the description and in the claims, as well as pharmaceutically acceptable salts thereof. These compounds are GPBAR1 agonists and can be used as medicaments for the treatment of diseases such as type II diabetes.

Activation and inhibition of kidney CLC-K chloride channels by fenamates

CLC-K Cl- channels are selectively expressed in kidney and ear, where they are pivotal for salt homeostasis, and loss-offunction mutations of CLC-Kb produce Bartter's syndrome type III. The only ligand known for CLC-K channels is a derivative o

Nicotinamide Ethers: Novel Inhibitors of Calcium-Independent Phosphodiesterase and Rolipram Binding

The synthesis and biological properties of a series of nicotinamide ethers are described.These compounds, structurally novel calcium-independent phosphodiesterase inhibitors, also inhibit the binding of rolipram to rat brain membranes and reverse rese

SELECTIVE CLEAVAGE OF THE ETHER AND AMIDE BONDS IN N-(2,4-DIFLUOROPHENYL)-2--3-PYRIDINECARBOXAMIDE (DIFLUFENICAN)

Heated to reflux in water containing 8 gpercent KOH, the herbicide diflufenican -3-pyridinecarboxamide, 1> was selectively transformed into 2--3-pyridinecarboxylic acid (2) plus 2,4-difluoroaniline (5); after 60 hr of heating, 27percent of the initial diflufenican was transformed, yielding 21percent (molepercent relative to initial diflufenican) of compound 2.Heated to reflux in a mixture of acetic acid + concentrate hydrochloric acid, diflufenican was transformed into a mixture of N-(2,4-difluorophenyl)-2-hydroxy-3-pyridinecarboxamide (3) and 2-hydroxy-3-carboxypyridine (4) plus 2,4-difluoroaniline (5) and 3-trifluoromethylphenol (6); after 48 hr of heating, diflufenican was completely transformed, yielding 28percent (molepercent relative to initial diflufenican) of compound 3, and 57percent of compound 4.The base catalyzed hydrolysis thus selectively yielded compound 2; the acid catalyzed one yielded compounds 3 + 4: diflufenican first was transformed into compound 3, which thereafter was transformed into compound 4.

N-substituted, 2-phenoxynicotinamide compounds and the herbicidal use thereof

This invention relates to novel herbicidal compounds having the formula STR1 in which X is chloro, bromo, trifluoromethyl, methyl or ethyl; R1 is hydrogen or C3 -C5 alkenyl; and R2 is (a) C3 -C5