6500-50-1

Basic information

• Product Name: octyl p-nitrobenzoate
• Synonyms: octyl p-nitrobenzoate;2-ETHYLHEXYL P-NITROBENZOATE;2-ethylhexyl 4-nitrobenzoate;4-Nitrobenzoic acid octyl ester;Benzoic acid, 4-nitro-, octyl ester;Einecs 229-382-9
• CAS NO: 6500-50-1
• Molecular Formula: C₁₅H₂₁NO₄
• Molecular Weight: 279.33154
• EINECS: 229-382-9
• Mol File: 6500-50-1.mol
• Article Data: 13

Chemical Properties

• Boiling Point: 390.6°C at 760 mmHg
• Flash Point: 149.3°C
• Appearance: /
• Density: 1.095g/cm³
• Vapor Pressure: 2.62E-06mmHg at 25°C
• Refractive Index: 1.515
• Storage Temp.: Refrigerator
• Solubility: DMSO (Sparingly), Methanol (Slightly)
• CAS DataBase Reference: octyl p-nitrobenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: octyl p-nitrobenzoate(6500-50-1)
• EPA Substance Registry System: octyl p-nitrobenzoate(6500-50-1)

Safety Data

• Hazardous Substances Data: 6500-50-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C15H21NO4/c1-3-5-6-12(4-2)11-20-15(17)13-7-9-14(10-8-13)16(18)19/h7-10,12H,3-6,11H2,1-2H3

Upstream product

• 111-87-5 octanol 
• 555-16-8 4-nitrobenzaldehdye 
• 619-73-8 4-nitrobenzyl chloride 
• 62-23-7 4-nitro-benzoic acid 
• 111-83-1 1-bromo-octane 
• 16156-52-8 n-octyl methanesulfonate 
• 3847-57-2 sodium 4-nitrobenzoate 
• 122-04-3 4-nitro-benzoyl chloride 
• 99-77-4 ethyl 4-nitrobenzoate 

Downstream Products

• 1250441-37-2 4-[4-hydroxy-3-(n-octyliminomethyl)phenylazo]benzoic acid octyl ester 
• 1250441-36-1 4-(3-formyl-4-hydroxyphenylazo)benzoic acid octyl ester 
• 14309-41-2 octyl ester of p-aminobenzoic acid 

Relevant articles and documents

Sodium cyanide-promoted copper-catalysed aerobic oxidative synthesis of esters from aldehydes

A simple and efficient copper-catalysed procedure for oxidative esterification of aldehydes with alcohols and phenols mediated by sodium cyanide, using air as a clean oxidant, is described. A variety of aromatic aldehydes and structurally different alcohols and phenols reacted efficiently, and the product esters were obtained in good to excellent yields under normal atmospheric and solvent-free conditions.

A microwave-assisted highly practical chemoselective esterification and amidation of carboxylic acids

The ubiquitousness of esters and amide functionalities makes their coupling reaction one of the most sought-after organic transformations. Herein, we have described an efficient microwave-assisted synthesis of esters and amides. Soluble triphenylphosphine, in conjugation with molecular iodine, gave the desired products without the requirement for a base/catalyst. In addition, a solid-phase synthetic route is incorporated for the said conversion, which has added advantages over solution-phase pathways, such as low moisture sensitivity, easy handling, isolation of the product by simple filtration, and reusability. In short, our method is simple, mild, green, and highly chemoselective in nature.

Base-free oxidation of alcohols to esters at room temperature and atmospheric conditions using nanoscale Co-based catalysts

The direct oxidation of alcohols to esters with molecular oxygen is an attractive and crucial process for the synthesis of fine chemicals. To date, the heterogeneous catalyst systems that have been identified are based on noble metals or have required the addition of base additives. Here, we show that Co nanoparticles embedded in nitrogen-doped graphite catalyze the aerobic oxidation of alcohols to esters at room temperature under base-free and atmospheric conditions. Our Co@C-N catalytic system features a broad substrate scope for aromatic and aliphatic alcohols as well as diols, giving their corresponding esters in good to excellent yields. This apparently environmentally benign process provides a new strategy with which to achieve selective oxidation of alcohols.