1145-15-9

Basic information

• Product Name: 5-(3,4-dimethoxyphenyl)pentanoic acid
• Synonyms: 5-(3,4-dimethoxyphenyl)pentanoic acid
• CAS NO: 1145-15-9
• Molecular Formula: C₁₃H₁₈O₄
• Molecular Weight: 238.28
• Mol File: 1145-15-9.mol
• Article Data: 10

Chemical Properties

• Melting Point: 75-77 °C
• Boiling Point: 394.9°C at 760 mmHg
• Flash Point: 147.5°C
• Appearance: /
• Density: 1.111g/cm³
• Vapor Pressure: 6.02E-07mmHg at 25°C
• Refractive Index: 1.514
• PKA: 4.74±0.10(Predicted)
• CAS DataBase Reference: 5-(3,4-dimethoxyphenyl)pentanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(3,4-dimethoxyphenyl)pentanoic acid(1145-15-9)
• EPA Substance Registry System: 5-(3,4-dimethoxyphenyl)pentanoic acid(1145-15-9)

Safety Data

• Hazardous Substances Data: 1145-15-9(Hazardous Substances Data)

Usage

General Description

5-(3,4-dimethoxyphenyl)pentanoic acid is a chemical compound with the molecular formula C13H18O4. It belongs to the class of aromatic carboxylic acids and is a derivative of pentanoic acid. 5-(3,4-dimethoxyphenyl)pentanoic acid is characterized by the presence of a pentanoic acid core with a 3,4-dimethoxyphenyl group attached to the fifth carbon atom. It is most commonly used in organic synthesis and pharmaceutical research as a building block for the production of various pharmaceutical and biologically active compounds. Additionally, it has been studied for its potential anti-inflammatory and analgesic properties, making it of interest for medicinal chemistry research.

InChI:InChI=1/C13H18O4/c1-16-11-8-7-10(9-12(11)17-2)5-3-4-6-13(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)

Upstream product

• 4378-55-6 5-(3,4-dimethoxy-phenyl)-5-oxo-pentanoic acid 
• 141-82-2 malonic acid 
• 61871-67-8 3-(3,4-Dimethoxyphenyl)propanal 
• 3929-47-3 3-(3,4-dimethoxyphenyl)-1-propanol 
• 5462-13-5 ethyl 3-(3,4-dimethoxyphenyl)propionate 
• 20583-78-2 3,4-dimethoxy-cinnamic acid ethyl ester 
• 2316-26-9 3,4-dimethoxycinnamic acid 
• 131699-18-8 methyl 5-(3,4-dimethoxyphenyl)pentanoate 
• 131699-22-4 5-(3,4-dimethoxy-phenyl)-5-oxo-pentanoic acid methyl ester 
• 120-14-9 3,4-dimethoxy-benzaldehyde 
• 874518-45-3 5-(3,4-dimethoxyphenyl)pentanoic acid ethyl ester 
• 101619-71-0 (2E,4E)-ethyl 5-(3,4-dimethoxyphenyl)penta-2,4-dienoate 
• 855655-55-9 (3-(3,4-Dimethoxy-phenyl)-allyliden)-malonsaeure 
• 91-16-7 1,2-dimethoxybenzene 

Downstream Products

• 31129-94-9 5-(3′,4′,5′-trihydroxyphenyl)valeric acid 
• 79623-17-9 1,2-dimethoxy-4-(5-hydroxypentyl)benzene 
• 79623-03-3 5-hydroxy-5-(3,4-dimethoxyphenyl)valeric acid δ lactone 
• 79623-04-4 5-(3,4-dimethoxy-2-hydoxyphenyl)valeric acid 
• 91869-09-9 5-(3,4-dimethoxyphenyl)pentanoyl chloride 
• 1452406-10-8 6-(3,4-dimethoxyphenyl)-1,1,1-trifluorohexan-2-one 
• 1452406-19-7 7-(3,4-dimethoxyphenyl)-1,1,1,2,2-pentafluoroheptan-3-one 
• 1609188-55-7 2,3-dimethoxy-5-(2-methoxyphenyl)-8,9-dihydro-7H-benzocycloheptene-6-carbaldehyde 
• 1609188-58-0 2,3-dimethoxy-5-(2-methoxyphenyl)-8,9-dihydro-7H-benzocycloheptene-6-carboxylic acid 
• 392632-16-5 4-[4-(2-{[(2S)-3-(4-{[tert-Butyl(diphenyl)silyl]oxy}phenoxy)-2-hydroxypropyl]amino}ethyl)anilino]-N-[4-(3,4-dimethoxyphenyl)butyl]-1-piperidinecarboxamide 
• 392631-88-8 4-(4-{2-[2-Hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-ethyl}-phenylamino)-piperidine-1-carboxylic acid [4-(3,4-dimethoxy-phenyl)-butyl]-amide 
• 91869-10-2 1-<5-<3,4-Bis(trimethylsilyloxy)phenyl>-1-oxopentyl>-4-trimethylsilyloxypiperidin 
• 91887-07-9 1-<5-(3,4-Dimethoxyphenyl)-1-oxopentyl>-4-hydroxypiperidin 
• 91869-11-3 5-(3,4-Dihydroxy-phenyl)-1-(4-hydroxy-piperidin-1-yl)-pentan-1-one 

Relevant articles and documents

In silico design and synthesis of N-arylalkanyl 2-naphthamides as a new class of non-purine xanthine oxidase inhibitors

A series of N-arylalkanyl 2-naphthamides (Xa~e), which were predicted from virtual molecular docking on a built xanthine oxidase template as potential inhibitors, were synthesized. Their inhibitory activity against xanthine oxidase was assayed. Among these prepared, compounds Xb (IC50 13.6?μM), Xc (IC50 13.1?μM), and Xd (IC50 12.5?μM) showed comparable inhibitory activity to allopurinol (IC50 22.1?μM). The in vitro assay result correlated well with molecular docking scores, ΔG?=??16.99, ?17.66, and ?17.13 Kcal/mol, respectively. On the potassium oxonate-induced hyperuricemic mice model, oral administration of Xc-Ac (40 mg/ Kg), the per-O-acetylated Xc, could reduce the blood uric acid level by 60% in comparison to the normal control group and is statistically significant (p .01) while compared with the hyperuricemic mice group.

Iridium/f-Amphol-catalyzed Efficient Asymmetric Hydrogenation of Benzo-fused Cyclic Ketones

Iridium/f-Amphol-catalyzed asymmetric hydrogenation of various benzo-fused five to seven-membered cyclic ketones was successfully developed, affording a series of chiral benzo-fused cyclic alcohols with excellent results (75%–99% yields, 93%–>99% ee, and TON up to 297 000). The enantioenriched products can be employed as key intermediates or motifs for the synthesis of some important biologically active compounds, such as rasagiline mesylate TVP-1012 used for the treatment of Parkinson's disease, the enantiomer of anticonvulsant drug eslicarbazepine acetate (BIA 2-093). (Figure presented.).

Synthesis of novel building blocks of benzosuberone bearing coumarin moieties and their evaluation as potential anticancer agents

A series of novel benzosuberone bearing coumarin moieties 5a-c have been synthesized and their structures were determined by analytical and spectral (FT-IR, 1H NMR, 13C NMR, HRMS) studies. The newly synthesized compounds were evaluated for their cytotoxicity against four human cancer cell lines, A549 (Human alveolar adenocarcinoma cell line), HeLa (Human cervical cancer cell line), MDA-MB-231 (Human breast adenocarcinoma cell line), MCF-7 (Human breast adenocarcinoma cell line) and normal cell line HEK293 (Human embryonic kidney cell line). Compound 5a exhibited promising cytotoxicity with IC50 values ranging from 3.35 to 16.79 μM against all the cancer cell lines like A549, HeLa, MCF-7 and MDA-MB-231, while compound 5c showed significant cytotoxicity against HeLa and MDA-MB-231 with IC50 values of 6.72 and 4.87, respectively.