20386-93-0

Basic information

• Product Name: 4-CHLOROBENZYL BENZOATE 97
• Synonyms: 4-CHLOROBENZYL BENZOATE 97
• CAS NO: 20386-93-0
• Molecular Formula: C₁₄H₁₁ClO₂
• Molecular Weight: 246.692
• Product Categories: C12 to C63;Carbonyl Compounds;Esters;Building Blocks;C12 to C63;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks
• Mol File: 20386-93-0.mol
• Article Data: 40

Chemical Properties

• Melting Point: 57-61 °C(lit.)
• Boiling Point: 353.7°Cat760mmHg
• Flash Point: 179.9°C
• Appearance: /
• Density: 1.233g/cm³
• Vapor Pressure: 3.52E-05mmHg at 25°C
• Refractive Index: 1.589
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 4-CHLOROBENZYL BENZOATE 97(CAS DataBase Reference)
• NIST Chemistry Reference: 4-CHLOROBENZYL BENZOATE 97(20386-93-0)
• EPA Substance Registry System: 4-CHLOROBENZYL BENZOATE 97(20386-93-0)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 20386-93-0(Hazardous Substances Data)

Usage

General Description

4-Chlorobenzyl benzoate can be synthesized from the reaction between 4-chlorobenzyl chloride and sodium benzoate in the presence of tri-n-butylamine (catalyst). It can also be obtained by reacting sodium benzoate and 4-chlorotoluene.

InChI:InChI=1/C14H11ClO2/c15-13-8-6-11(7-9-13)10-17-14(16)12-4-2-1-3-5-12/h1-9H,10H2

Upstream product

• 532-32-1 sodium benzoate 
• 104-83-6 1-Chloro-4-(chloromethyl)benzene 
• 14856-74-7 4-chlorobenzyltrimethylsilyl ether 
• 93-97-0 benzoic acid anhydride 
• 1312588-22-9 N-(4-chlorobenzyloxy)-N-methoxybenzamide 
• 108-67-8 1,3,5-trimethyl-benzene 
• 106-43-4 para-chlorotoluene 
• 100-51-6 benzyl alcohol 
• 614-45-9 tert-Butyl peroxybenzoate 
• 94-36-0 dibenzoyl peroxide 
• 65-85-0 benzoic acid 
• 100-52-7 benzaldehyde 
• 873-76-7 para-Chlorobenzyl alcohol 
• 30148-17-5 (1-methyl-1H-imidazol-2-yl)(phenyl)methanone 

Downstream Products

• 13402-51-2 benzyl benzothioate 
• 65-85-0 benzoic acid 
• 873-76-7 para-Chlorobenzyl alcohol 
• 1143018-85-2 2-((4-chlorobenzyl)oxy)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 
• 95843-98-4 2-(benzyloxy)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 
• 100-51-6 benzyl alcohol 

Relevant articles and documents

N-Aroylbenzotriazoles as Efficient Reagents for o-Aroylation in Absence of Organic Solvent

N-Aroylbenzotriazoles have been shown to be efficient reagents for esterification in the absence of organic solvent. Grinding of N-aroylbenzoytiazoles with twofold excess of alcohols for a couple of hours at room temperature gave corresponding esters in high percentage of yields.

Catalytic conversion of ketones to esters: Via C(O)-C bond cleavage under transition-metal free conditions

The catalytic conversion of ketones to esters via C(O)-C bond cleavage under transition-metal free conditions is reported. This catalytic process proceeds under solvent-free conditions and offers an easy operational procedure, broad substrate scope with excellent selectivity, and reaction scalability. This journal is

Flavin Catalysis Employing an N(5)-Adduct: an Application in the Aerobic Organocatalytic Mitsunobu Reaction

An artificial flavin system has been firstly proved to employ an N(5)-adduct for a catalytic transformation. This mode of catalysis occurs in some flavoenzymes but it is unknown in chemocatalysis, still exclusively using only C(4a)-adducts. In our report, an ethylene-bridged biomimetic flavin has been shown to participate in the Mitsunobu esterification reaction as an alternative to dialkyl azodicarboxylate. The reaction occurs via a flavin N(5)-triphenylphosphane adduct and is catalytic from the point of view of the flavin, which is regenerated by oxygen. This approach distinguishes from other catalytic Mitsunobu reaction procedures which require an extra catalytic system.