31224-82-5

Basic information

• Product Name: 5-Trifluoromethyl-pyridine-2-carbaldehyde
• Synonyms: 5-Trifluoromethyl-pyridine-2-carbaldehyde;5-(trifluoromethyl)picolinaldehyde;5-Trifluoromethyl-Pyridine-2-Carbaldehyde 5-Trifluoromethyl-Pyridine-2-Carbaldehyde;Picolinaldehyde, 5-(trifluoromethyl)-
• CAS NO: 31224-82-5
• Molecular Formula: C₇H₄F₃NO
• Molecular Weight: 175.11
• Mol File: 31224-82-5.mol
• Article Data: 7

Chemical Properties

• Melting Point: 31-33℃
• Boiling Point: 197.46ºC at 760 mmHg
• Flash Point: 73.222ºC
• Appearance: /
• Density: 1.37g/cm3
• Vapor Pressure: 0.378mmHg at 25°C
• Refractive Index: 1.476
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 1.30±0.10(Predicted)
• Sensitive: Air Sensitive
• CAS DataBase Reference: 5-Trifluoromethyl-pyridine-2-carbaldehyde(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Trifluoromethyl-pyridine-2-carbaldehyde(31224-82-5)
• EPA Substance Registry System: 5-Trifluoromethyl-pyridine-2-carbaldehyde(31224-82-5)

Safety Data

• HazardClass: IRRITANT, AIR SENSITIVE
• Hazardous Substances Data: 31224-82-5(Hazardous Substances Data)

Usage

General Description

5-Trifluoromethyl-pyridine-2-carbaldehyde is a chemical compound with a molecular structure containing a pyridine ring substituted with a trifluoromethyl group and a aldehyde group. It is commonly used as a building block in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals. 5-Trifluoromethyl-pyridine-2-carbaldehyde is known for its ability to participate in various chemical reactions, such as Mannich condensation, Knoevenagel condensation, and others. Its trifluoromethyl group imparts unique properties to the molecule, making it of interest in drug discovery and chemical research. The chemical is also used as a synthetic intermediate in organic chemistry.

InChI:InChI=1/C7H4F3NO/c8-7(9,10)5-1-2-6(4-12)11-3-5/h1-4H

Upstream product

• 100366-75-4 2‐iodo‐5‐(trifluoromethyl)pyridine 
• 68-12-2 N,N-dimethyl-formamide 
• 50488-42-1 2-bromo-5-(trifluoromethyl)pyridine 
• 31181-84-7 2-hydroxymethyl-5-trifluoromethylpyridine 

Downstream Products

• 31181-84-7 2-hydroxymethyl-5-trifluoromethylpyridine 
• 128790-14-7 5-trifluoromethyl-pyridin-2-ylmethyl chloride 
• 95727-86-9 2-cyano-5-trifluoro-methylpyridine 
• 1595889-36-3 1-[5-(trifluoromethyl)pyridin-2-yl]propan-1-ol 
• 647840-50-4 (1S,2S,3R,4S,5R,8R,9S,10R,13S)-4-acetoxy-2-benzoyloxy-5,20-epoxy-1-hydroxy-9,10-[(1S)-2-propenylidenedioxy]tax-11-en-13-yl (2R,3S)-3-(tert-butoxycarbonylamino)-3-(5-trifluoromethyl-2-pyridyl)-2-triisopropylsilyloxypropionate 
• 647840-51-5 (1S,2S,3R,4S,5R,8R,9S,10R,13S)-4-acetoxy-2-benzoyloxy-5,20-epoxy-1-hydroxy-9,10-[(1S)-2-propenylidenedioxy]tax-11-en-13-yl (2R,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-3-(5-trifluoromethyl-2-pyridyl)propionate 

Relevant articles and documents

INHIBITOR COMPOUNDS

The disclosure relates to heterocyclic compounds and methods for their preparation. The disclosure provides compounds that may have beneficial therapeutic activity in the treatment of a disease or condition mediated by excessive or otherwise undesirable Des1 and/or fibrotic activity.

NOVEL COMPOUNDS

The present invention provides compounds of formula (I) and pharmaceutically acceptable salts thereof, wherein L, X, Ra, Rb, R1, R2 and R3 are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them and their use in therapy.

Synthesis and structure-activity relationships of varied ether linker analogues of the antitubercular drug (6 S)-2-nitro-6-{[4-(trifluoromethoxy) benzyl]oxy}-6,7-dihydro-5 H -imidazo[2,1- b ][1,3]oxazine (PA-824)

New analogues of antitubercular drug PA-824 were synthesized, featuring alternative side chain ether linkers of varying size and flexibility, seeking drug candidates with enhanced metabolic stability and high efficacy. Both α-methyl substitution and removal of the benzylic methylene were broadly tolerated in vitro, with a biaryl example of the latter class exhibiting an 8-fold better efficacy than the parent drug in a mouse model of acute Mycobacterium tuberculosis infection and negligible fragmentation to an alcohol metabolite in liver microsomes. Extended linkers (notably propenyloxy, propynyloxy, and pentynyloxy) provided greater potencies against replicating M. tb (monoaryl analogues), with propynyl ethers being most effective under anaerobic (nonreplicating) conditions (mono/biaryl analogues). For benzyloxybenzyl and biaryl derivatives, aerobic activity was maximal with the original (OCH2) linker. One propynyloxy-linked compound displayed an 89-fold higher efficacy than the parent drug in the acute model, and it was slightly superior to antitubercular drug OPC-67683 in a chronic infection model.