79418-78-3

Basic information

• Product Name: 3-FLUORO-4-HYDROXY-5-METHOXYBENZALDEHYDE
• Synonyms: 3-FLUORO-4-HYDROXY-5-METHOXYBENZALDEHYDE;5-FLUOROVANILLIN;3-FLUORO-4-HYDROXY-5-METHOXYBENZALDEHYD&;Benzaldehyde, 3-fluoro-4-hydroxy-5-methoxy-;3-Fluoro-4-hydroxy-5-methoxybenzene
• CAS NO: 79418-78-3
• Molecular Formula: C₈H₇FO₃
• Molecular Weight: 170.14
• Product Categories: Aromatic Aldehydes & Derivatives (substituted);Aldehydes;C8;Carbonyl Compounds;Fluorine series
• Mol File: 79418-78-3.mol
• Article Data: 10

Chemical Properties

• Melting Point: 114-118 °C(lit.)
• Boiling Point: 114-118℃
• Flash Point: 104.1 °C
• Appearance: Yelloe to pale brown/Powder
• Density: 1.331 g/cm³
• Vapor Pressure: 0.0153mmHg at 25°C
• Refractive Index: 1.564
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 6.54±0.23(Predicted)
• Sensitive: Air Sensitive
• CAS DataBase Reference: 3-FLUORO-4-HYDROXY-5-METHOXYBENZALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-FLUORO-4-HYDROXY-5-METHOXYBENZALDEHYDE(79418-78-3)
• EPA Substance Registry System: 3-FLUORO-4-HYDROXY-5-METHOXYBENZALDEHYDE(79418-78-3)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• Hazardous Substances Data: 79418-78-3(Hazardous Substances Data)

Usage

Description

3-Fluoro-4-hydroxy-5-methoxybenzaldehyde is an aryl fluorinated building block, characterized as a white to light yellow crystal powder. It is a chemical compound that plays a significant role in the synthesis of various organic molecules, particularly in the development of fluorinated derivatives.

Uses

Used in Pharmaceutical Synthesis:
3-Fluoro-4-hydroxy-5-methoxybenzaldehyde is used as a reagent in the synthesis of a series of caffeic acid phenethyl amide (CAPA) fluorinated derivatives. These derivatives have potential applications in the pharmaceutical industry, particularly for the development of new drugs with improved properties.
Used in Organic Chemistry:
3-Fluoro-4-hydroxy-5-methoxybenzaldehyde may be used to synthesize 3-(3-fluoro-4-hydroxy-5-methoxyphenyl)-N-phenethylacrylamide and 4-[(4-hydroxy-3-fluoro-5-methoxy-benzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one. These synthesized compounds can be utilized in various applications, such as in the development of new materials or as intermediates in the synthesis of other organic compounds.
Used in Research and Development:
As an aryl fluorinated building block, 3-fluoro-4-hydroxy-5-methoxybenzaldehyde is valuable in research and development for the creation of new chemical entities and the exploration of novel chemical reactions. Its unique structure allows for the investigation of the effects of fluorination on the properties and reactivity of organic molecules.

InChI:InChI=1/C8H7FO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3

Upstream product

• 71144-41-7 (+/-)-5-Fluoronorepinephrine 
• 103905-49-3 5-<(dimethylamino)methyl>-1-fluoro-2-hydroxy-3-methoxybenzene 
• 71144-35-9 3-fluoro-4,5-dihydroxybenzaldehyde 
• 77-78-1 dimethyl sulfate 
• 73943-41-6 2-fluoro-6-methoxyphenol 
• 50-00-0 formaldehyd 
• 76-05-1 trifluoroacetic acid 
• 1089186-95-7 1-(3-fluoro-4-hydroxy-5-methoxyphenyl)-N,N,N-trimethylmethanaminium iodide 
• 127685-76-1 1-fluoro-2-hydroxy-3-methoxy-5-methylbenzene 
• 456-49-5 1-fluoro-3-methoxybenzene 
• 100-97-0 hexamethylenetetramine 

Downstream Products

• 127035-71-6 2-Fluoro-6-methoxy-4-((E)-2-thiophen-2-yl-vinyl)-phenol 
• 71924-61-3 3-fluoro-4,5-dimethoxybenzaldehyde 
• 99387-67-4 4-(benzyloxy)-3-fluoro-5-methoxybenzaldehyde 
• 71144-35-9 3-fluoro-4,5-dihydroxybenzaldehyde 
• 910814-28-7 3-(3-fluoro-4-hydroxy-5-methoxy-phenyl)-1-((1aS,5aR)-1,1,2-trimethyl-1,1a,5,5a-tetrahydro-3-thia-cyclopropa[a]pentalen-4-yl)-propenone 
• 1256778-02-5 2-fluoro-4-formyl-6-methoxyphenyl trifluoromethanesulfonate 
• 1268364-24-4 C₁₀H₁₁FO₄ 
• 1420899-21-3 (1E,4Z,6E)-1,7-bis(3-fluoro-4-hydroxy-5-methoxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one 
• 1420899-22-4 (Z)-1,7-bis(3-fluoro-4-hydroxy-5-methoxyphenyl)-5-hydroxyhept-4-en-3-one 
• 1413405-96-5 ethyl 2-(2-fluoro-4-formyl-6-methoxyphenoxy)acetate 
• 1283117-81-6 4-(3-fluoro-4-hydroxy-5-methoxyphenyl)-5,6-diphenyl-3,4-dihydropyrimidin-2(1H)-one 
• 1283117-76-9 4-(3-ethoxy-5-fluoro-4-hydroxyphenyl)-5,6-diphenyl-3,4-dihydropyrimidin-2(1H)-one 
• 1283117-77-0 3-ethoxy-5-fluoro-4-hydroxybenzaldehyde 
• 1283119-80-1 3,4-diethoxy-5-fluorobenzaldehyde 

Relevant articles and documents

cGAS ANTAGONIST COMPOUNDS

Disclosed are novel compounds of Formula (I) that are cGAS antagonists, methods of preparation of the compounds, pharmaceutical compositions comprising the compounds, and their use in medical therapy.

Efficient Co(OAc)2-catalyzed aerobic oxidation of EWG-substituted 4-cresols to access 4-hydroxybenzaldehydes

We reported an efficient ligand-free Co(OAc)2·4H 2O/NaOH/O2/ethylene glycol reaction system that enables selective aerobic oxidation of a wide range of substrates covering 2,6-di-EWG-, 2,3,6-tri-EWG-, 2-EWG-, and 2-EWG-6-EDG-substituted 4-cresols into the corresponding 4-hydroxybenzaldehydes. Based on the experimental investigations and well-defined p-benzoquinone methides, a plausible reaction mechanism was proposed. Considering the simplicity of the procedure and importance of the products, the methodology was expected to become a favorable and practical tool in related benzylic C(sp3)-H functionalization chemistry.

Cu(OAc)2-catalyzed remote benzylic C(sp3)-H oxyfunctionalization for C=O formation directed by the hindered para-hydroxyl group with ambient air as the terminal oxidant under ligand- and additive-free conditions

A hindered para-hydroxyl group-directed remote benzylic C(sp3)-H oxyfunctionalization has been developed for the straightforward transformation of 2,6-disubstituted 4-cresols, 4-alkylphenols, 4-hydroxybenzyl alcohols and 4-hydroxybenzyl alkyl ethers into various aromatic carbonyl compounds. The ligand- and additive-free Cu(OAc)2-catalyzed atmospheric oxidation mediated by ethylene glycol unlocks a facile, atom-economical, and environmentally benign C=O formation for the functionalization of primary and secondary benzyl groups. Due to the pharmaceutical importance of 4-hydroxybenzaldehydes and 4-hydroxyphenones, the methodology is expected to be of significant value for both fundamental research and practical applications.