7511-32-2

Basic information

• Product Name: cyclohexyl 4-nitrobenzoate
• Synonyms: Benzoic acid, 4-nitro-, cyclohexyl ester; Cyclohexanol, p-nitrobenzoate
• CAS NO: 7511-32-2
• Molecular Formula: C₁₃H₁₅NO₄
• Molecular Weight: 249.2625
• Mol File: 7511-32-2.mol
• Article Data: 19

Chemical Properties

• Boiling Point: 389.2°C at 760 mmHg
• Flash Point: 169.5°C
• Density: 1.23g/cm³
• Vapor Pressure: 2.91E-06mmHg at 25°C
• Refractive Index: 1.556
• CAS DataBase Reference: cyclohexyl 4-nitrobenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: cyclohexyl 4-nitrobenzoate(7511-32-2)
• EPA Substance Registry System: cyclohexyl 4-nitrobenzoate(7511-32-2)

Safety Data

• Hazardous Substances Data: 7511-32-2(Hazardous Substances Data)

Upstream product

• 122-04-3 4-nitro-benzoyl chloride 
• 108-93-0 cyclohexanol 
• 62-23-7 4-nitro-benzoic acid 
• 108-85-0 1-bromocyclohexane 
• 953-91-3 cyclohexyl tosylate 
• 555-21-5 4-Nitrophenylacetonitrile 
• 3847-57-2 sodium 4-nitrobenzoate 
• 619-73-8 4-nitrobenzyl chloride 
• 110-59-8 pentanonitrile 
• 110-82-7 cyclohexane 
• 110-83-8 cyclohexene 

Relevant articles and documents

Synthesis and NMR spectroscopic conformational analysis of benzoic acid esters of mono- and 1,4-dihydroxycyclohexane, 4-hydroxycyclohexanone and the -ene analogue – The more polar the molecule the more stable the axial conformer

para-Substituted benzoic acid esters of cyclohexanol, 1,4-dihydroxycyclohexane, 4-hydroxy-cyclohexanone and of the corresponding exo-methylene derivative were synthesized and the conformational equilibria of the cyclohexane skeleton studied by low temperature 1H and 13C NMR spectroscopy. The geometry optimized structures of the axial/equatorial chair conformers were computed at the DFT level of theory. Only one preferred conformation of the ester group was obtained for both the axial and the equatorial conformer, respectively. The content of the axial conformer increases with growing polarity of the 6-membered ring moiety; hereby, in addition, the effect of sp2 hybridization/polarity of C(4)=O/C(4)=CH2 on the present conformational equilibria is critically evaluated. Another dynamic process could be studied, for the first time in this kind of compounds.

On the understanding of BF3·Et2O-promoted intra- and intermolecular amination and oxygenation of unfunctionalized olefins

BF3·Et2O was found to be effective for both intra- and intermolecular amination and oxygenation of unfunctionalized olefins. In the presence of 3 equiv. of BF3·Et2O, intramolecular hydroamination of N-(pent-4-enyl)-p-toluenesulfonamides, N-(hex-5-enyl)-p-toluenesulfonamides, intermolecular hydroamination between sulfonamides and cyclohexene, norbornene or styrene, lactonization of pent-4-enoic acid or hex-5-enoic acid compounds and esterification of cyclohexene with different carboxylic acids all proceeded readily, leading to the corresponding amination or oxygenation products in up to 99% isolated yields. Preliminary NMR experiments and DFT calculations suggested that the intramolecular hydroamination reactions proceeded via a sulfonimidic acid intermediate (N=S-OH), and formation of the corresponding Bronsted acid HF or HBF4 was less likely.

Ultrasound assisted direct oxidative esterification of aldehydes and alcohols using graphite oxide and Oxone

A sonochemical procedure for direct oxidative esterification of aldehydes and alcohols using graphite oxide and Oxone in an alcoholic solvent is described. Mild reaction conditions, short reaction times, cost-effectiveness, and facile isolation of the products make the present system as a practical method.