85711-94-0

Basic information

• Product Name: 2-[(4-methoxyphenyl)methylene]heptan-1-al
• Synonyms: 2-[(4-methoxyphenyl)methylene]heptan-1-al;2-[(4-Methoxyphenyl)methylene]heptanal
• CAS NO: 85711-94-0
• Molecular Formula: C₁₅H₂₀O₂
• Molecular Weight: 232.3181
• EINECS: 288-353-9
• Mol File: 85711-94-0.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 369.7°C at 760 mmHg
• Flash Point: 158°C
• Appearance: /
• Density: 0.992g/cm³
• Vapor Pressure: 1.17E-05mmHg at 25°C
• Refractive Index: 1.527
• CAS DataBase Reference: 2-[(4-methoxyphenyl)methylene]heptan-1-al(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[(4-methoxyphenyl)methylene]heptan-1-al(85711-94-0)
• EPA Substance Registry System: 2-[(4-methoxyphenyl)methylene]heptan-1-al(85711-94-0)

Safety Data

• Hazardous Substances Data: 85711-94-0(Hazardous Substances Data)

Usage

General Description

"2-[(4-methoxyphenyl)methylene]heptan-1-al" is a chemical compound with the molecular formula C16H24O2. It is a long-chain aldehyde with a methoxyphenyl group attached to the second carbon atom. 2-[(4-methoxyphenyl)methylene]heptan-1-al is commonly used in the fragrance and flavor industry due to its pleasant aroma. It is also used in the production of perfumes, soaps, and essential oils. Additionally, it has potential applications in pharmaceutical and cosmetic products. However, it is important to handle this chemical with caution as it may be harmful if ingested or inhaled.

InChI:InChI=1/C15H20O2/c1-3-4-5-6-14(12-16)11-13-7-9-15(17-2)10-8-13/h7-12H,3-6H2,1-2H3/b14-11+

Upstream product

• 111-71-7 heptanal 
• 123-11-5 4-methoxy-benzaldehyde 
• 904295-68-7 α,α-bis(trimethylsilyl)-N-tert-butylheptanaldimine 
• 6852-61-5 tert-butyl-heptylidene-amine 
• 111-70-6 n-heptan1ol 
• 105-13-5 4-Methoxybenzyl alcohol 

Relevant articles and documents

Design and synthesis of chitin synthase inhibitors as potent fungicides

Chitin is a structural component of fungal cell walls but is absent in vertebrates, mammals, and humans. Chitin synthase is thus an attractive molecular target for developing fungicides. Based on the structure of its donor substrate, UDP-N-acetyl-glucosamine, as well as the modelled structure of the bacterial chitin synthase NodC, we designed a novel scaffold which was then further optimized into a series of chitin synthase inhibitors. The most potent inhibitor, compound 13, exhibited high chitin synthase inhibitory activity with an IC50 value of 64.5?μmol/L. All of the inhibitors exhibited antifungal activities against the growth of agriculturally-destructive fungi, Fusarium graminearum, Botrytis cinerea, and Colletotrichum lagenarium. This work presents a new scaffold which can be used for the development of novel fungicides.

Microwave-assisted organocatalytic cross-aldol condensation of aldehydes

An environmentally benign organocatalytic cross-aldol condensation of aldehydes under microwave irradiation in the absence of solvent is described. Using pyrrolidine as a catalyst, an efficient and sustainable atom economic method was developed for the cross-aldol condensation of various aldehydes with excellent results. Among the products, jasmine aldehyde, α-hexyl cinnamaldehyde and cyclamen aldehyde, three compounds of great industrial demand, were synthesised.

A general route to α-alkyl (E)-α,β-unsaturated aldehydes

Bis(trimethylsilyl)-tert-butylaldimines 3 react with aldehydes in the presence of zinc bromide at room temperature to give, after hydrolysis, the desired α-alkyl α,β-ethylenic aldehydes in good yield and with very high E stereoselectivity. The reaction was believed to proceed via the α-silyl β-siloxyimines 4.