5452-08-4

Basic information

• Product Name: heptyl 4-methoxybenzoate
• Synonyms: heptyl 4-methoxybenzoate;4-Methoxybenzoic acid heptyl ester
• CAS NO: 5452-08-4
• Molecular Formula: C₁₅H₂₂O₃
• Molecular Weight: 0
• Mol File: 5452-08-4.mol

Chemical Properties

• Boiling Point: 347.3°Cat760mmHg
• Flash Point: 144.3°C
• Appearance: /
• Density: 0.999g/cm³
• Vapor Pressure: 5.42E-05mmHg at 25°C
• Refractive Index: 1.49
• CAS DataBase Reference: heptyl 4-methoxybenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: heptyl 4-methoxybenzoate(5452-08-4)
• EPA Substance Registry System: heptyl 4-methoxybenzoate(5452-08-4)

Safety Data

• Hazardous Substances Data: 5452-08-4(Hazardous Substances Data)

Usage

InChI:InChI=1/C15H22O3/c1-3-4-5-6-7-12-18-15(16)13-8-10-14(17-2)11-9-13/h8-11H,3-7,12H2,1-2H3

Upstream product

• 558-30-5 2-methyl-1,2-epoxypropane 
• 104-92-7 1-bromo-4-methoxy-benzene 
• 111-70-6 n-heptan1ol 
• 2788-86-5 4-Chlorostyrene oxide 
• 96-09-3 styrene oxide 
• 100-06-1 1-(4-methoxyphenyl)ethanone 
• 100-09-4 4-methoxybenzoic acid 

Downstream Products

• 1392227-31-4 (E)-n-heptyl 2-(3-n-butoxy-3-oxoprop-1-en-1-yl)-4-methoxybenzoate 
• 1392227-30-3 (E)-n-heptyl 4-methoxy-2-(3-methoxy-3-oxoprop-1-en-1-yl)benzoate 

Relevant articles and documents

Pd/C-Catalyzed Carbonylative Esterification of Aryl Halides with Alcohols by Using Oxiranes as CO Sources

A carbonylative esterification reaction between aryl bromides and alcohols, promoted by Pd/C and NaF in the presence of oxiranes, has been developed. In this process, oxiranes serve as sources of carbon monoxide by their conversion to aldehydes through a palladium-promoted Meinwald rearrangement pathway. Intramolecular versions of this process serve as methods for the synthesis of lactones and phthalimides. CO gas free! A carbonylative esterification reaction between aryl bromides and alcohols, promoted by Pd/C and NaF in the presence of oxiranes, has been developed. In this process, oxiranes serve as sources of carbon monoxide by their conversion to aldehydes through a palladium-promoted Meinwald rearrangement pathway (see scheme).

Cu(ii)-catalyzed esterification reaction via aerobic oxidative cleavage of C(CO)-C(alkyl) bonds

A novel Cu(ii)-catalyzed aerobic oxidative esterification of simple ketones for the synthesis of esters has been developed with wide functional group tolerance. This process is assumed to go through a tandem sequence consisting of α-oxygenation/esterification/nucleophilic addition/C-C bond cleavage and carbon dioxide is released as the only byproduct.

Immobilised Candida antarctica B as efficient catalyst for the synthesis of local anaesthetic intermediates

We hereby present the development of new reaction conditions for the CALB catalysed esterification of substituted benzoic acids. Using cyclohexane as the reaction media a number of heptyl benzoates have been easily isolated in good to excellent yields (up to 100% at 80 C, 20-24 h). Moreover, the catalytic system has been successfully applied to the synthesis of local anaesthetics intermediates also showing good productivity in recycling experiments.