13456-39-8

Basic information

• Product Name: 2-diethylaminoethyl 4-nitrobenzoate
• Synonyms: 2-diethylaminoethyl 4-nitrobenzoate;Diethylaminoethyl 4-Nitrobenzoate;Pocaine Intermediate;(1s,4s)-4-(2-methoxy-2-oxoethyl)cyclohexyl 4-nitrobenzoate;Pocaine Impurity 1
• CAS NO: 13456-39-8
• Molecular Formula: C₁₃H₁₈N₂O₄
• Molecular Weight: 266.29
• Mol File: 13456-39-8.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 385.1°Cat760mmHg
• Flash Point: 186.7°C
• Appearance: /
• Density: 1.163g/cm³
• Vapor Pressure: 3.91E-06mmHg at 25°C
• Refractive Index: 1.536
• PKA: 9.10±0.25(Predicted)
• CAS DataBase Reference: 2-diethylaminoethyl 4-nitrobenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: 2-diethylaminoethyl 4-nitrobenzoate(13456-39-8)
• EPA Substance Registry System: 2-diethylaminoethyl 4-nitrobenzoate(13456-39-8)

Safety Data

• Hazardous Substances Data: 13456-39-8(Hazardous Substances Data)

Usage

InChI:InChI=1/C13H18N2O4/c1-3-14(4-2)9-10-19-13(16)11-5-7-12(8-6-11)15(17)18/h5-8H,3-4,9-10H2,1-2H3

Upstream product

• 122-04-3 4-nitro-benzoyl chloride 
• 100-37-8 2-(Diethylamino)ethanol 
• 20651-75-6 1-butyl-4-nitro-benzene 
• 10342-59-3 1-nitro-4-propyl-benzene 
• 99-99-0 1-methyl-4-nitrobenzene 
• 62-23-7 4-nitro-benzoic acid 
• 109-89-7 diethylamine 

Downstream Products

• 26090-29-9 4-(2-Octyloxy-benzoylamino)-benzoic acid 2-diethylamino-ethyl ester 
• 26095-59-0 otilonium bromide 
• 150-13-0 4-amino-benzoic acid 
• 59-46-1 Procaine 
• 62-23-7 4-nitro-benzoic acid 
• 99-77-4 ethyl 4-nitrobenzoate 
• 94-09-7 p-aminoethylbenzoate 
• 97104-23-9 4-Nitro-benzoesaeure-(2-hydroxy-benzylester) 
• 90224-92-3 4-nitro-benzoic acid-(2,2,2-tribromo-ethyl ester) 
• 35943-98-7 (E)-3,7-dimethylocta-2,6-dien-1-yl 4-nitrobenzoate 
• 16488-52-1 4-methylamino-benzoic acid-(2-diethylamino-ethyl ester) 

Relevant articles and documents

Effect of micellar interactions on base-catalyzed hydrolysis of procaine

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Metal-Free Aerobic Oxidation of Nitro-Substituted Alkylarenes to Carboxylic Acids or Benzyl Alcohols Promoted by NaOH

Efficient and selective aerobic oxidation of nitro-substituted alkylarenes to functional compounds is a fundamental process that remains a challenge. Here, we report a metal-free, efficient, and practical approach for the direct and selective aerobic oxidation of nitro-substituted alkylarenes to carboxylic acids or benzyl alcohols. This sustainable system uses O2 as clean oxidant in a cheap and green NaOH/EtOH mixture. The position and type of substituent critically affect the products. In addition, this sustainable protocol enabled gram-scale preparation of carboxylic acid and benzyl alcohol derivatives with high chemoselectivities. Finally, the reactions can be conducted in a pressure reactor, which can conserve oxygen and prevent solvent loss. The approach was conducive to environmental protection and potential industrial application.