37470-87-4

Basic information

• Product Name: 2,4-Dihydroxy-5-hexylbenzaldehyde
• Synonyms: 2,4-Dihydroxy-5-hexylbenzaldehyde;5-hexyl-2,4-dihydroxybenzaldehyde
• CAS NO: 37470-87-4
• Molecular Formula: C₁₃H₁₈O₃
• Molecular Weight: 222.28022
• Mol File: 37470-87-4.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 379.3°C at 760 mmHg
• Flash Point: 197.3°C
• Appearance: /
• Density: 1.129g/cm³
• Vapor Pressure: 2.72E-06mmHg at 25°C
• Refractive Index: 1.573
• CAS DataBase Reference: 2,4-Dihydroxy-5-hexylbenzaldehyde(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4-Dihydroxy-5-hexylbenzaldehyde(37470-87-4)
• EPA Substance Registry System: 2,4-Dihydroxy-5-hexylbenzaldehyde(37470-87-4)

Safety Data

• Hazardous Substances Data: 37470-87-4(Hazardous Substances Data)

Usage

General Description

2,4-Dihydroxy-5-hexylbenzaldehyde, also known as a (Z)-p-hydroxyphenylpent-3-en-2-one, is an organic compound with the chemical formula C13H16O3. It is a yellowish crystalline solid that is commonly used as a flavoring agent and fragrance in various consumer products. Its slightly sweet and floral scent makes it a popular choice for use in perfumes, cosmetics, and food products. Additionally, it has been studied for its potential antioxidant and antimicrobial properties, and is being investigated for potential applications in the pharmaceutical and healthcare industries.

InChI:InChI=1/C13H18O3/c1-2-3-4-5-6-10-7-11(9-14)13(16)8-12(10)15/h7-9,15-16H,2-6H2,1H3

Upstream product

• 136-77-6 4-Hexylresorcinol 
• 68-12-2 N,N-dimethyl-formamide 

Downstream Products

• 303126-21-8 3-[4-(4'-phenoxy)phenylthiazol-2-yl]-6-(n-hexyl)-7-hydroxy-chromen-2-one 
• 1333661-35-0 C₂₄H₂₅N₃O₄ 
• 1567311-63-0 (Z)-6-hexyl-7-hydroxy-2-(2-(3-methoxybenzoyl)hydrazono)-2H-chromene-3-carboxamide 
• 219298-61-0 2-hydroxy-4-(2-tetrahydropyranyl)oxy-5-hexylbenzaldehyde 
• 320741-53-5 C₂₄H₂₄N₂O₂S 
• 313231-80-0 C₃₀H₂₈N₂O₃S 
• 219298-62-1 2-methoxy-4-(2-tetrahydropyranyl)oxy-5-hexylbenzaldehyde 

Relevant articles and documents

COMPOSITIONS AND METHODS FOR TREATING MYOTONIC DYSTROPHY TYPE 1

Disclosed is a compound for treatment of Myotonic Dystrophy type 1 having the formula (I) wherein X is selected from the group consisting of O, N, C, or S, Y is a homo- or heteroatomic 5-membered ring comprising one or more atoms selected from the group c

Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones

The invention relates to the use of 1,3-bis-aromatic-prop-2-en-1-ones (chalcones), 1,3-bis-aromatic-propan-1-ones (dihydrochalcones), and 1,3-bis-aromatic-prop-2-yn-1-ones for the preparation of pharmaceutical compositions for the treatment or prophylaxis of a number of serious diseases including i) conditions relating to harmful effects of inflammatory cytokines, ii) conditions involving infection by Helicobacter species, iii) conditions involving infection by viruses, iv) neoplastic disorders, and v) conditions caused by microorganisms or parasites. The invention also relates to novel chalcones and dihydrochalcones (especially alkoxy substituted variants) having advantageous substitution patterns with respect to their effect as drug substances, and to methods of preparing them, as well as to pharmaceutical compositions comprising the novel chalcones. Moreover, the present invention relates to a method for the isolation of Leishmania fumarate reductase, QSAR methodologies for selecting potent compounds for the above-mentioned purposes.

Antileishmaniai chalcones: Statistical design, synthesis, and three- dimensional quantitative structure-activity relationship analysis

A large number of substituted chalcones have been synthesized and tested for antileishmanial and lymphocyte-suppressing activities. A subset of the chalcones was designed by using statistical methods. 3D-QSAR analyses using 67 (antileishmanial activity) and 63 (lymphocyte-suppressing activity) of the compounds for the training sets and 9 compounds as an external validation set were performed by using the GRID/GOLPE methodology. The Smart Region Definition procedure with subsequent region selection as implemented in GOLPE reduced the number of variables to approximately 1300 yielding 3D-QSAR models of high quality (lymphocyte-suppressing model, R2 = 0.90, Q2 = 0.80; antileishmanial model, R2 = 0.73, Q2 = 0.63). The coefficient plots indicate that steric interactions between the chalcones and the target are of major importance for the potencies of the compounds. A comparison of the coefficient plots for the antileishmanial effect and the lymphocyte- suppressing activity discloses significant differences which should make it possible to design chalcones having a high antileishmanial activity without suppressing the proliferation of lymphocytes.