25173-72-2

Basic information

• Product Name: 3-(3,4,5-TRIMETHOXYPHENYL)PROPIONIC ACID
• Synonyms: TIMTEC-BB SBB000794;3,4,5-TRIMETHOXYHYDROCINNAMIC ACID;3-(3,4,5-TRIMETHOXYPHENYL)PROPANOIC ACID;3-(3,4,5-TRIMETHOXYPHENYL)PROPIONIC ACID;AKOS BBS-00006959;LABOTEST-BB LT00233171;BETA-(3,4,5-TRIMETHOXYPHENYL)PROPIONIC ACID;B-(3,4,5-TRIMETHOXYPHENYL)PROPIONIC ACID
• CAS NO: 25173-72-2
• Molecular Formula: C₁₂H₁₆O₅
• Molecular Weight: 240.25
• EINECS: 246-706-4
• Product Categories: Aromatic Propionic Acids;API intermediates
• Mol File: 25173-72-2.mol
• Article Data: 23

Chemical Properties

• Melting Point: 100-104 °C(lit.)
• Boiling Point: 373℃
• Flash Point: 140℃
• Appearance: White to almost white/Crystalline Powder
• Density: 1.169
• Vapor Pressure: 3.1E-06mmHg at 25°C
• Refractive Index: 1.5140 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: methanol: 0.1 g/mL, clear
• PKA: 4.70±0.10(Predicted)
• BRN: 1471912
• CAS DataBase Reference: 3-(3,4,5-TRIMETHOXYPHENYL)PROPIONIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(3,4,5-TRIMETHOXYPHENYL)PROPIONIC ACID(25173-72-2)
• EPA Substance Registry System: 3-(3,4,5-TRIMETHOXYPHENYL)PROPIONIC ACID(25173-72-2)

Safety Data

• Statements: 36/37/38
• Safety Statements: 22-24/25
• WGK Germany: 3
• Hazardous Substances Data: 25173-72-2(Hazardous Substances Data)

Usage

Description

3-(3,4,5-TRIMETHOXYPHENYL)PROPIONIC ACID, also known as trimethoprim, is a monocarboxylic acid derived from propionic acid with a 3,4,5-trimethoxyphenyl substituent at the 3-position. It is a white to almost white crystalline powder and is known for its various applications in different industries.

Uses

Used in Pharmaceutical Industry:
3-(3,4,5-TRIMETHOXYPHENYL)PROPIONIC ACID is used as an active pharmaceutical ingredient for the treatment of bacterial infections. It works by inhibiting the bacterial enzyme dihydrofolate reductase, which is essential for the synthesis of nucleic acids and proteins in bacteria, thus preventing their growth and multiplication.
Used in Veterinary Medicine:
In the veterinary field, 3-(3,4,5-TRIMETHOXYPHENYL)PROPIONIC ACID is used as an antimicrobial agent for the treatment of bacterial infections in animals. It is often combined with other antibiotics, such as sulfonamides, to enhance its effectiveness against a broader range of bacterial pathogens.
Used in Research and Development:
3-(3,4,5-TRIMETHOXYPHENYL)PROPIONIC ACID is also used in research and development for the synthesis of various chemical compounds and as a starting material for the development of new drugs with potential applications in different therapeutic areas.
Used in Chemical Synthesis:
In the chemical industry, 3-(3,4,5-TRIMETHOXYPHENYL)PROPIONIC ACID serves as an intermediate in the synthesis of various organic compounds, including dyes, pigments, and other specialty chemicals. Its unique structure and reactivity make it a valuable building block for the creation of novel molecules with specific properties and applications.

InChI:InChI=1/C12H16O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h6-7H,4-5H2,1-3H3,(H,13,14)/p-1

Upstream product

• 90-50-6 3,4,5-trimethoxycinnamic acid 
• 1878-29-1 ethyl (E)-3-(3,4,5-trimethoxyphenyl)acrylate 
• 71277-13-9 3,4,5-trimethoxycinnamaldehyde 
• 87212-60-0 5-[(3,4,5-trimethoxyphenyl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione 
• 4521-61-3 3,4,5-Trimethoxybenzoyl chloride 
• 3840-30-0 5-(chloromethyl)-1,2,3-trimethoxybenzene 
• 112044-75-4 2-(4-dimethylamino-phenylimino)-3-oxo-5-(3,4,5-trimethoxy-phenyl)-valeronitrile 
• 36974-47-7 3,4,5-trimethoxy-N-phenyl-benzimidoyl chloride 
• 3840-31-1 (3,4,5-trimethoxyphenyl)methanol 
• 530-56-3 syringic alcohol 
• 20069-09-4 piperlongumine 
• 86-81-7 3,4,5-trimethoxy-benzaldehyde 
• 2033-24-1 cycl-isopropylidene malonate 
• 2466-36-6 1-(3-(3,4,5-trimethoxyphenyl)propanoyl)piperidin-2-one 

Downstream Products

• 20947-59-5 N-(4-benzyloxy-3-methoxyphenethyl)-3-(3',4',5'-trimethoxyphenyl)propionamide 
• 20947-58-4 N-(3,4-Dimethoxy-phenaethyl)-3-(3,4,5-trimethoxy-phenyl)-propionsaeureamid 
• 20947-57-3 N-(4-Hydroxy-3-methoxy-phenyl-aethyl)-3-(3,4,5-trimethoxy-phenyl)-propionamid 
• 858217-19-3 3-(2-iodo-3,4,5-trimethoxy-phenyl)-propionic acid methyl ester 
• 860358-05-0 5,6,7-trimethoxy-4-(4-methoxy-phenyl)-indan-1-one 
• 875248-72-9 4-(3-bromo-4-methoxy-phenyl)-5,6,7-trimethoxy-indan-1-one 
• 1235489-90-3 C₂₃H₃₉N₂O₁₁P 
• 20947-69-7 7-benzyloxy-6-methoxy-1-(3',4',5'-trimethoxyphenethyl)-N-methyl-3,4-dihydroisoquinolin-2-ium iodide 
• 67393-37-7 7-benzyloxy-6-methoxy-1-(3',4',5'-trimethoxyphenethyl)-3,4-dihydroisoquinoline 
• 38726-41-9 7-hydroxy-6-methoxy-1-(3',4',5'-trimethoxyphenethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline 
• 67393-36-6 N-trifluoroacetyl-7-benzyloxy-6-methoxy-1-(3',4',5'-trimethoxyphenethyl)-1,2,3,4-tetrahydroisoquinoline 
• 47764-93-2 1-(3',4',5'-trimethoxyphenethyl)-2-methyl-6-methoxy-7-benzyloxy-1,2,3,4-tetrahydroisoquinoline 
• 56771-99-4 N-trifluoroacetyl-7-hydroxy-6-methoxy-1-(3',4',5'-trimethoxyphenethyl)-1,2,3,4-tetrahydroisoquinoline 
• 1380309-69-2 N-acetyl-7-benzyloxy-6-methoxy-1-(3',4',5'-trimethoxyphenethyl)-1,2,3,4-tetrahydroisoquinoline 

Relevant articles and documents

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Paired Electrochemical Reactions and the On-Site Generation of a Chemical Reagent

While the majority of reported paired electrochemical reactions involve carefully matched cathodic and anodic reactions, the precise matching of half reactions in an electrolysis cell is not generally necessary. During a constant current electrolysis almost any oxidation and reduction reaction can be paired, and in the presented work we capitalize on this observation by examining the coupling of anodic oxidation reactions with the production of hydrogen gas for use as a reagent in remote, Pd-catalyzed hydrogenation and hydrogenolysis reactions. To this end, an alcohol oxidation, an oxidative condensation, intramolecular anodic olefin coupling reactions, an amide oxidation, and a mediated oxidation were all shown to be compatible with the generation and use of hydrogen gas at the cathode. This pairing of an electrolysis reaction with the production of a chemical reagent or substrate has the potential to greatly expand the use of more energy efficient paired electrochemical reactions.

Synthesis, in vitro and in silico evaluation of diaryl heptanones as potential 5LOX enzyme inhibitors

A new series of diaryl heptanones (12a-q) were synthesized and their structures were confirmed by its 1H, 13C NMR and Mass spectral data. These analogs were evaluated for their anti-oxidant activity and potential to inhibit 5-lipoxygenase. Compounds 12k and 12o showed potent in vitro 5-lipoxygenase enzyme inhibitory activity with IC50 values of 22.2, 21.5 μM, which are comparable to curcumin (24.4 μM). Further they also have shown significant antioxidant activity. Molecular docking studies clearly showed correlation between binding energy and potency of these compounds.