13756-40-6

Basic information

• Product Name: propan-2-yl 4-nitrobenzoate
• Synonyms: Benzoic acid, 4-nitro-, 1-methylethyl ester
• CAS NO: 13756-40-6
• Molecular Formula: C₁₀H₁₁NO₄
• Molecular Weight: 209.1986
• Mol File: 13756-40-6.mol
• Article Data: 50

Chemical Properties

• Boiling Point: 320.8°C at 760 mmHg
• Flash Point: 143.2°C
• Density: 1.212g/cm³
• Vapor Pressure: 0.00031mmHg at 25°C
• Refractive Index: 1.535
• CAS DataBase Reference: propan-2-yl 4-nitrobenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: propan-2-yl 4-nitrobenzoate(13756-40-6)
• EPA Substance Registry System: propan-2-yl 4-nitrobenzoate(13756-40-6)

Safety Data

• Hazardous Substances Data: 13756-40-6(Hazardous Substances Data)

Upstream product

• 122-04-3 4-nitro-benzoyl chloride 
• 67-63-0 isopropyl alcohol 
• 62-23-7 4-nitro-benzoic acid 
• 187737-37-7 propene 
• 619-80-7 4-nitrobenzamide 
• 636-98-6 p-nitrobenzene iodide 
• 13939-06-5 molybdenum hexacarbonyl 
• 623-27-8 terephthalaldehyde, 
• 555-16-8 4-nitrobenzaldehdye 
• 201230-82-2 carbon monoxide 
• 100-01-6 4-nitro-aniline 
• 619-73-8 4-nitrobenzyl chloride 
• 96953-69-4 p-nitrobenzoic-p-toluenesulfonic anhydride 
• 75-26-3 isopropyl bromide 

Downstream Products

• 1105738-83-7 C₁₇H₁₇NO₆S 
• 89303-18-4 2-Benzenesulfonylmethyl-4-fluoro-1-nitro-benzene 
• 89303-10-6 5-chloro-2-nitrobenzyl phenyl sulfone 
• 1144525-72-3 5-carboisopropoxy-2-nitrobenzyl 4-chlorophenyl sulfone 
• 58055-31-5 4-(3,3-Dimethyl-ureido)-benzoic acid isopropyl ester 
• 58055-32-6 4-(3-Methyl-ureido)-benzoic acid isopropyl ester 
• 26398-43-6 1-methylethyl 4-isocyanatobenzoate 
• 241127-91-3 NSC 677695 
• 91950-07-1 4-nitroso-benzoic acid isopropyl ester 
• 18144-43-9 isopropyl 4-aminobenzoate 

Relevant articles and documents

Reaction mechanism studies involving the correlation of the rates of solvolysis of benzoyl and p-nitrobenzoyl p-toluenesulfonates

The solvolyses of benzoyl and p-nitrobenzoyl p-toluenesulfonates (tosylates) are considerably slower than those of the previously studied mixed anhydride of acetic and p-toluenesulfonic acids (acetyl tosylate), which, even with application of rapid-response conductivity, could only be studied at considerably reduced temperatures. For the presently studied compounds, the specific rates over a wide variety of solvents could be conveniently studied at -10 °C. For solvolyses of benzoyl tosylate, application of the extended (two-term) Grunwald-Winstein equation gives sensitivities to changes in solvent nucleophilicity and solvent ionising power consistent with an ionisation (S Nl) pathway. Indeed, a good correlation is obtained against only solvent ionising power. For the solvolyses of the p-nitro-derivative, very different sensitivities are obtained, with an appreciable dependence on solvent nucleophilicity, and a dominant biomolecular pathway for the substitution is proposed for all of these solvolyses, except for those in solvents rich in fluoroalcohol. Studies of solvent deuterium isotope effects in methanolysis, of leaving-group effects relative to a halide and of temperature variation effects are consistent with the proposed mechanistic pathways.

Vitamin B1-catalyzed aerobic oxidative esterification of aromatic aldehydes with alcohols

A straightforward aerobic oxidative esterification of aryl aldehydes with alcohols has been developed for the synthesis of substituted esters by employing vitamin B1 as a cost-effective, metal-free, and eco-friendly NHC catalyst. Air is used as a green terminal oxidant. The reaction is a useful addition to the existing NHC-catalytic oxidative esterification.

Solar and visible-light active nano Ni/g-C3N4photocatalyst for carbon monoxide (CO) and ligand-free carbonylation reactions

In this study, we investigate the amino and alkoxycarbonylation reaction between various substituted aryl halides, benzyl iodides, and iodocyclohexane with different types of amines and alcohols in the absence of carbon monoxide gas and ligands. Similar reactions are carried out at high temperatures, in the presence of appropriate ligands, stoichiometric amounts of bases, and gaseous carbon monoxide, which endanger the health of organic chemists. We present a novel method that does not utilize ligands, bases, gaseous CO, and special conditions. This procedure is a redox reaction carried out by new economic nano Ni/g-C3N4at room temperature and under visible light. Mo(CO)6was used toin situgenerate CO, to resolve the problems caused by the use of CO gas. This protocol has the ability to be used on a gram scale by using a continuous flow reactor.

Carbon monoxide is used as a source of halogen compound heterogeneous palladium catalyst in the presence of the aldehyde carbonyl compound by reaction carbonylation method (by machine translation)

[Problem] catalyst and the presence of carbon monoxide, the halogen compound is a carbonyl compound in the carbonylation reaction, catalysts or carbon monoxide source technique has problems. [Solution] the presence of the catalyst and the carbon monoxide, the halogen compound is carbonylation reaction method for producing a carbonyl compound, As a heterogeneous palladium catalyst, carbon monoxide is produced from an aldehyde carbonyl compound used in the method. [Drawing] no (by machine translation)