99-78-5

Basic information

• Product Name: 2-methylpropyl 4-nitrobenzoate
• Synonyms: benzoic acid, 4-nitro-, 2-methylpropyl ester; Benzoic acid, p-nitro-, isobutyl ester; Isobutyl 4-nitrobenzoate; Isobutyl p-nitrobenzoate
• CAS NO: 99-78-5
• Molecular Formula: C₁₁H₁₃NO₄
• Molecular Weight: 223.2252
• Mol File: 99-78-5.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 334.8°C at 760 mmHg
• Flash Point: 144°C
• Density: 1.18g/cm³
• Vapor Pressure: 0.000125mmHg at 25°C
• Refractive Index: 1.53
• CAS DataBase Reference: 2-methylpropyl 4-nitrobenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: 2-methylpropyl 4-nitrobenzoate(99-78-5)
• EPA Substance Registry System: 2-methylpropyl 4-nitrobenzoate(99-78-5)

Safety Data

• Hazardous Substances Data: 99-78-5(Hazardous Substances Data)

Upstream product

• 78-83-1 2-methyl-propan-1-ol 
• 122-04-3 4-nitro-benzoyl chloride 
• 62-23-7 4-nitro-benzoic acid 
• 763-36-0 1-diazo-2-methyl-propane 
• 555-16-8 4-nitrobenzaldehdye 
• 619-73-8 4-nitrobenzyl chloride 
• 13277-61-7 p-Nitrobenzoyl bromide 

Downstream Products

• 94-14-4 Isobutyl 4-aminobenzoate 
• 30762-00-6 4-isobutoxybenzoic acid 
• 76480-04-1 4-Isobutoxy-benzoic acid isobutyl ester 
• 62-23-7 4-nitro-benzoic acid 
• 76479-99-7 4-Azido-benzoic acid isobutyl ester 
• 76480-01-8 C₂₂H₂₆N₂O₄ 

Relevant articles and documents

Aerobic oxidative esterification and thioesterification of aldehydes using dibromoisocyanuric acid under mild conditions: No metal catalysts required

A practical direct method for the direct preparation of esters and thioesters from aldehydes is described. Esters and thioesters were synthesized by oxidative esterification and thioesterification via in situ generated acyl bromide intermediates, which were used to react with various alcohols and thiols. The esterification and thioesterification were readily performed in the presence of dibromoisocyanuric acid in dichloromethane, without any metal catalysts and under mild conditions. By using this reaction protocol, various esters and thioesters were prepared in high yields. This effective method offers a promising approach for the facile esterification and thioesterification of aldehydes.

Efficient esterification of carboxylic acids with alcohols by hydrogen peroxide as a novel condensing agent

Esterification of carboxylic acids with different alcohols has been achieved in presence of catalyst hydrogen peroxide and sulphuric acid. This method is free from disadvantages of base catalyst and high temperature. Hydrogen peroxide with sulphuric acid increases the yield up to 98 % with minimum side products. Several esters were synthesized by this method by condensing carboxylic acids (1) with alcohols (2) in presence of hydrogen peroxide and sulphuric acid.

Liquid-Phase Hydrogenation of p-Nitrobenzoic Acid Esters on Palladium Catalysts

Hydrogenation of some p-nitrobenzoic esters on palladium catalysts (conventional heterogeneous Pd/C and Pd/Al2O3 and polymeric AV-17-8-Pd and AN-1-Pd) is studied. The maximum rate of the hydrogenation reaction was observed in methanol at t = 55°C and PH2 = 0.1 MPa. MNDO calculations of some electronic characteristics of p-nitrobenzoic ester molecules were performed. A two-parameter correlation between the hydrogenation rate constant, the charge of the nitro group, and the steric substituent constant was found for the reaction conducted on the AV-17-8-Pd and AN-1-Pd catalysts.