349-10-0

Basic information

• Product Name: 3-(TRIFLUOROMETHYL)MANDELIC ACID
• Synonyms: 3-(TRIFLUOROMETHYL)MANDELIC ACID;DL-2-(3-trifluoromethyl)phenylglycollic acid;m-Trifluoromethylmandelic acid;α-Hydroxy-3-(trifluoromethyl)benzeneacetic acid;2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetic acid;2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanoic acid
• CAS NO: 349-10-0
• Molecular Formula: C₉H₇F₃O₃
• Molecular Weight: 220.15
• EINECS: 206-484-1
• Mol File: 349-10-0.mol

Chemical Properties

• Boiling Point: 298.7 °C at 760 mmHg
• Flash Point: 134.5 °C
• Appearance: white solid
• Density: 1.481 g/cm³
• Vapor Pressure: 0.000558mmHg at 25°C
• Refractive Index: 1.502
• PKA: 3.22±0.10(Predicted)
• CAS DataBase Reference: 3-(TRIFLUOROMETHYL)MANDELIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(TRIFLUOROMETHYL)MANDELIC ACID(349-10-0)
• EPA Substance Registry System: 3-(TRIFLUOROMETHYL)MANDELIC ACID(349-10-0)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 349-10-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
3-(TRIFLUOROMETHYL)MANDELIC ACID is used as a building block for the synthesis of various pharmaceutical compounds due to its unique properties and potential applications in drug development.
Used in Chemical Industry:
3-(TRIFLUOROMETHYL)MANDELIC ACID is used as an intermediate in the production of various chemical compounds, taking advantage of its stability and reactivity characteristics.
Used in Research and Development:
3-(TRIFLUOROMETHYL)MANDELIC ACID is used as a research compound for studying its properties, potential applications, and effects on biological systems, as well as for developing new methods of synthesis and modification.

InChI:InChI=1/C9H7F3O3/c10-9(11,12)6-3-1-2-5(4-6)7(13)8(14)15/h1-4,7,13H,(H,14,15)

Upstream product

• 454-89-7 3-Trifluoromethylbenzaldehyde 
• 67-66-3 chloroform 
• 1423-26-3 (meta-(trifluoromethyl)phenyl)boronic acid 
• 40504-79-8 hydroxy-(3-trifluoromethyl-phenyl)-acetic acid ethyl ester 

Downstream Products

• 1613628-26-4 (8R,9aS)-8-[(5-cyclopropylpyrazin-2-yl)oxy]-2-{hydroxy-[3-(trifluoromethyl)phenyl]acetyl}octahydro-5H-pyrrolo[1,2-a][1,4]diazepin-5-one 

Relevant articles and documents

PERK INHIBITING IMIDAZOLOPYRAZINE COMPOUNDS

Provided herein are compounds of formula (I) as shown below, compositions, and methods useful for inhibiting PERK and for treating related conditions, diseases, and disorders.

PERK INHIBITING PYRROLOPYRIMIDINE COMPOUNDS

Provided herein are compounds of formula (I), compositions, and methods useful for inhibiting PERK and for treating related conditions diseases, and disorders.

PERK INHIBITING PYRROLOPYRIMIDINE COMPOUNDS TO TREAT VIRAL INFECTIONS

Provided herein are methods for treating a viral infection in a patient, comprising administering to said patient a therapeutically effective amount of a PERK inhibitor selected from a compound having the structure (I):

PERK INHIBITING IMIDAZOLOPYRAZINE COMPOUNDS

Provided herein are methods for treating a viral infection in a patient, comprising administering to said patient a therapeutically effective amount of a PERK inhibitor selected from a compound having the structure (I).

Enantioselective C-H Olefination of α-Hydroxy and α-Amino Phenylacetic Acids by Kinetic Resolution

Significant progress has been made in the past decade regarding the development of enantioselective C-H activation reactions by desymmetrization. However, the requirement for the presence of two chemically identical prochiral C-H bonds represents an inherent limitation in scope. Reported is the first example of kinetic resolution by a palladium(II)-catalyzed enantioselective C-H activation and C-C bond formation, thus significantly expanding the scope of enantioselective C-H activation reactions.

Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings

The structures of 27 monosubstituted mandelic acids, including several of their polymorphs, plus unsubstituted mandelic acid itself (two polymorphs) are investigated for structural similarity. The results, presented pictorially as a structural relationship plot, show that rather more structures are built up from the carboxyl-chain hydroxyl hydrogen bonded dimer than from the conventional carboxylic acid dimer. The results show how all the structures are related and, based on the two types of dimer, the degree of similarity that they possess. Some structures with Z′ > 1 contain both sorts of dimers and there are many examples of isostructural sets within the structures so far determined. We also present an example where analysing similarity in related families of structures highlights a structure that should be present and which has indeed then proceeded to be synthesised and determined.

Arylethanolamine derivatives, their preparation and use in pharmaceutical compositions

Compounds of formula (II): STR1 or a pharmaceutically acceptable salt thereof, in which X is an oxygen atom or a bond, R1 is a hydrogen, fluorine, chlorine or bromine atom or a trifluoromethyl or C1-4 alkyl group, each of R2 and R3 is a hydrogen atom or a C1-4 alkyl group, R4 is a C1-4 alkyl group, R5 is a hydrogen atom or a C1-4 alkyl group, and n is an integer of from 1 to 3; are useful as anti-obesity and/or anti-hyperglycaemic agents.

7-α-Amino-substituted acylamino-3-(1-carboxymethyltetrazol-5-ylthiomethyl)-3-cephem-4-carboxylic acids

Certain 7-acylamido-3-(1-carboxy-loweralkyl-tetrazol-5-ylthiomethyl)-3-cephem-4-carboxylic acids and their salts and easily hydrolyzed esters of the 4-carboxyl group were synthesized and found to be potent antibacterial agents which exhibited good aqueous solubility. In a preferred embodiment the 7-substituent was 2'-aminomethylphenylacetamido.

7-(D-α-Hydroxy-2-arylacetamido)-3-(2-carboxyalkyl-2,3-dihydro-s-triazolo-[4,3-b]pyridazin-3-on-6-ylthiomethyl)-3-cephem-4-carboxylic acids and derivatives

7-(D-α-Hydroxy-2-arylacetamido)-3-(2-carboxyalkyl-2,3-dihydro-s-triazolo[4,3-b]pyridazin-3-on-6-ylthiomethyl)-3-cephem-4-carboxylic acids and derivatives containing blocking groups on the α-hydroxy group and their nontoxic, pharmaceutically acceptable salts are valuable as antibacterial agents and are particularly valuable as therapeutic agents in poultry and in animals, including man, in the treatment of infectious diseases caused by many Gram-positive and Gram-negative bacteria. A preferred compound is 7-(D-mandelamido)-3-(2-carboxyalkyl-2,3-dihydro-s-triazolo[4,3-b]pyridazin-3-on-6-ylthiomethyl)-3-cephem-4-carboxylic acid.

7-(D-α-Hydroxy-2-arylacetamido)-3-(tetrazolo-[4,5-b]pyridazin-6-ylthiomethyl)-3-cephem-4-carboxylic acids

7-(D-α-Hydroxy-2-arylacetamido)-3-(tetrazolo-[4,5-b]pyridazin-6-ylthiomethyl)-3-cephem-4-carboxylic acids and their nontoxic, pharmaceutically acceptable salts are valuable as antibacterial agents and are particularly valuable as therapeutic agents in poultry and animals, including man, in the treatment of infectious diseases caused by many Gram-positive and Gram-negative bacteria.