6268-23-1

Basic information

• Product Name: Benzoic acid, 3-nitro-, 1-Methylethyl ester
• Synonyms: Benzoic acid, 3-nitro-, 1-Methylethyl ester
• CAS NO: 6268-23-1
• Molecular Formula: C₁₀H₁₁NO₄
• Molecular Weight: 209.19864
• EINECS: -0
• Mol File: 6268-23-1.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 306°Cat760mmHg
• Flash Point: 133.1°C
• Appearance: /
• Density: 1.212g/cm³
• Vapor Pressure: 0.000795mmHg at 25°C
• Refractive Index: 1.535
• CAS DataBase Reference: Benzoic acid, 3-nitro-, 1-Methylethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 3-nitro-, 1-Methylethyl ester(6268-23-1)
• EPA Substance Registry System: Benzoic acid, 3-nitro-, 1-Methylethyl ester(6268-23-1)

Safety Data

• Hazardous Substances Data: 6268-23-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H11NO4/c1-7(2)15-10(12)8-4-3-5-9(6-8)11(13)14/h3-7H,1-2H3

Upstream product

• 67-63-0 isopropyl alcohol 
• 121-92-6 3-nitrobenzoic acid 
• 621-50-1 (3-nitrophenyl)acetonitrile 
• 99-61-6 3-nitro-benzaldehyde 
• 3431-62-7 3-nitrobenzaldoxime 
• 121-90-4 m-nitrobenzoic acid chloride 

Downstream Products

• 99-61-6 3-nitro-benzaldehyde 

Relevant articles and documents

Oxidative Esterification of Aldehydes and Alcohols Catalyzed by Camphor-Based Imidazolium Salts

Abstract: Sixteen new camphor-based imidazolium salts have been synthesized with renewable camphorsulfonic acid as the starting material. The chemical shifts of the characteristic proton of C2 on the imidazolium ring (N?C=N) were discussed thoroughly and all of these imidazolium salts exhibit good thermal stability. Furthermore, the excellent catalytic performance of the synthesized imidazolium salts were observed in the oxidative esterification between aromatic or aliphatic aldehydes containing electron-withdrawing or electron-donating groups on aromatic ring and primary or secondary alcohol by air as the sole oxidant. Graphic Abstract: [Figure not available: see fulltext.].

Efficient synthesis of esters through oxone-catalyzed dehydrogenation of carboxylic acids and alcohols

Since esters are important organic synthesis intermediates, an environmentally friendly oxone catalyzed-esterification of carboxylic acids with alcohols has been developed. A series of carboxylic acid esters are obtained in high yield. This strategy requires mild reaction conditions, providing an attractive alternative for the construction of valuable carbonyl esters. Electron-rich and electron-deficient groups are compatible with the standard conditions and a variety of substrates are demonstrated. Moreover, the reaction could easily be adapted to typical prodrugs, drugs and gram-scale synthesis.

Selective Actinide-Catalyzed Tandem Proton-Transfer Esterification of Aldehydes with Alcohols for the Production of Asymmetric Esters

Actinide-catalyzed tandem proton-transfer esterification between aldehydes and alcohols is presented herein for the first time. It represents a novel convenient and external-oxidant-free methodology in the preparation of asymmetric ester compounds. Various kinds of aldehydes and alcohols can be applied to this reaction, affording the corresponding ester product in moderate to high yields. A plausible mechanism was proposed on the basis of the kinetic, stoichiometric, and deuterium-labeling studies.