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
• Article Data: 3

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

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

Downstream Products

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

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).

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.