4457-41-4

Basic information

• Product Name: 4-nitrobenzyl benzoate
• Synonyms: benzenemethanol, 4-nitro-, benzoate (ester); Benzenemethanol, 4-nitro-, benzoate (ester) (9CI)
• CAS NO: 4457-41-4
• Molecular Formula: C₁₄H₁₁NO₄
• Molecular Weight: 257.2414
• Mol File: 4457-41-4.mol
• Article Data: 37

Chemical Properties

• Boiling Point: 414.5°C at 760 mmHg
• Flash Point: 184.9°C
• Density: 1.287g/cm³
• Vapor Pressure: 4.42E-07mmHg at 25°C
• Refractive Index: 1.607
• CAS DataBase Reference: 4-nitrobenzyl benzoate(CAS DataBase Reference)
• NIST Chemistry Reference: 4-nitrobenzyl benzoate(4457-41-4)
• EPA Substance Registry System: 4-nitrobenzyl benzoate(4457-41-4)

Safety Data

• Hazardous Substances Data: 4457-41-4(Hazardous Substances Data)

Upstream product

• 65-85-0 benzoic acid 
• 582-25-2 Potassium benzoate 
• 100-11-8 1-bromomethyl-4-nitro-benzene 
• 619-73-8 4-nitrobenzyl chloride 
• 17688-44-7 S-(benzoxazol-2-yl) thiobenzolate 
• 33388-23-7 3-benzoyl-2(3H)-benzoxazolethione 
• 81235-20-3 3-(benzothiazol-2-ylthio)-1,2-benzisothiazole 1,1-dioxide 
• 149-30-4 2-Mercaptobenzothiazole 
• 81245-06-9 3-(benzoxazol-2-ylthio)-1,2-benzisothiazole 1,1-dioxide 
• 2382-96-9 2-sulfanyl-1,3-benzoxazole 
• 2678-54-8 ketene diethyl acetal 
• 18483-99-3 2-(4-nitrobenzyloxy)tetrahydro-2H-pyran 
• 93-97-0 benzoic acid anhydride 
• 14856-73-6 4-nitrobenzyl trimethylsilyl ether 

Downstream Products

• 1070881-23-0 C₁₆H₁₅NO₃ 
• 6750-04-5 propargyl benzoate 
• 65-85-0 benzoic acid 
• 619-73-8 4-nitrobenzyl chloride 

Relevant articles and documents

Nitroreductase-activated nitric oxide (NO) prodrugs

Due to the involvement of nitric oxide (NO) in numerous and diverse physiological processes, site-directed delivery of therapeutic NO in order to minimize unwanted side-effects is necessary. O2-(4-Nitrobenzyl) diazeniumdiolates are designed as

KMnO4-catalyzed chemoselective deprotection of acetate and controllable deacetylation-oxidation in one pot

A novel and efficient protocol for chemoselective deacetylation under ambient conditions was developed using catalytic KMnO4. The stoichiometric use of KMnO4 highlighted the dual role of a heterogeneous oxidant enabling direct access to aromatic aldehydes in one-pot sequential deacetylation-oxidation. The reaction employed an alternative solvent system and allowed the clean transformation of benzyl acetate to sensitive aldehyde in a single step while preventing over-oxidation to acids. Use of inexpensive and readily accessible KMnO4 as an environmentally benign reagent and the ease of the reaction operation were particularly attractive, and enabled the controlled oxidation and facile cleavage of acetate in a preceding step. This journal is

Base-Promoted Amidation and Esterification of Imidazolium Salts via Acyl C-C bond Cleavage: Access to Aromatic Amides and Esters

Imidazolium salts have been effectively employed as suitable acyl transfer agents in amidation and esterification in organic synthesis. The weak acyl C(O)-C imidazolium bond was exploited to generate acyl electrophiles, which further react with amines and alcohols to afford amides and esters. The broad substrate scope of anilines and benzylic amines and base-promoted conditions are the benefits of this route. Interestingly, phenol, benzylic alcohols, and a biologically active alcohol can also be subjected to esterification under the optimized conditions.