19048-85-2

Basic information

• Product Name: (4-chlorophenyl)methyl 4-chlorobenzoate
• Synonyms: (4-chlorophenyl)methyl 4-chlorobenzoate
• CAS NO: 19048-85-2
• Molecular Formula: C₁₄H₁₀Cl₂O₂
• Molecular Weight: 281.134
• Mol File: 19048-85-2.mol
• Article Data: 51

Chemical Properties

• Boiling Point: 379.1°Cat760mmHg
• Flash Point: 151.7°C
• Appearance: /
• Density: 1.326g/cm³
• Vapor Pressure: 6.01E-06mmHg at 25°C
• Refractive Index: 1.597
• CAS DataBase Reference: (4-chlorophenyl)methyl 4-chlorobenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: (4-chlorophenyl)methyl 4-chlorobenzoate(19048-85-2)
• EPA Substance Registry System: (4-chlorophenyl)methyl 4-chlorobenzoate(19048-85-2)

Safety Data

• Hazardous Substances Data: 19048-85-2(Hazardous Substances Data)

Usage

Description

(4-chlorophenyl)methyl 4-chlorobenzoate, also known as 4-chlorophenyl methyl ester 4-chlorobenzoic acid, is a chemical compound with the molecular formula C14H10Cl2O2. It is a white to off-white crystalline powder with a melting point of 106-108°C. (4-chlorophenyl)methyl 4-chlorobenzoate is primarily used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and organic compounds.

Uses

Used in Pharmaceutical Industry:
(4-chlorophenyl)methyl 4-chlorobenzoate is used as an intermediate in the production of various medications for its ability to facilitate the synthesis of complex organic compounds.
Used in Agrochemical Industry:
(4-chlorophenyl)methyl 4-chlorobenzoate is used as an intermediate in the synthesis of agrochemicals, contributing to the development of effective pesticides and other agricultural products.
Used in Organic Compounds Synthesis:
(4-chlorophenyl)methyl 4-chlorobenzoate is used as an intermediate for the synthesis of various organic compounds, enabling the creation of a wide range of chemical products.
Used in Scientific Research:
(4-chlorophenyl)methyl 4-chlorobenzoate is used as a research chemical in laboratories for conducting scientific studies and experiments, aiding in the advancement of chemical knowledge and innovation.

InChI:InChI=1/C14H10Cl2O2/c15-12-5-1-10(2-6-12)9-18-14(17)11-3-7-13(16)8-4-11/h1-8H,9H2

Upstream product

• 104-83-6 1-Chloro-4-(chloromethyl)benzene 
• 74-11-3 para-chlorobenzoic acid 
• 104-88-1 4-chlorobenzaldehyde 
• 620-05-3 iodomethylbenzene 
• 122-01-0 4-chloro-benzoyl chloride 
• 873-76-7 para-Chlorobenzyl alcohol 
• 106-43-4 para-chlorotoluene 
• 103-67-3 benzyl-methyl-amine 
• 96985-15-8 bis(p-chlorobenzyl) sulfite 
• 123-11-5 4-methoxy-benzaldehyde 
• 27993-56-2 1-(4-chlorophenyl)-2-hydroxyethanone 
• 622-95-7 4-chlorobenzyl bromide 
• 4231-70-3 p-chlorobenzoyl-1H-1,2,3-benzotriazole 

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.

N-Heterocyclic Carbene Catalyzed Ester Synthesis from Organic Halides through Incorporation of Oxygen Atoms from Air

Oxygenation reactions with molecular oxygen (O2) as the oxygen source provides a green and straightforward strategy for the construction of O-containing compounds. Demonstrated here is a novel N-heterocyclic carbene (NHC) catalyzed oxidative transformation of simple and readily available organic halides into valuable esters through the incorporation of O-atoms from O2. Mechanistic studies prove that the deoxy Breslow intermediate generated in situ is oxidized to a Breslow intermediate for further transformation by this oxidative protocol. This method broadens the field of NHC catalysis and promotes oxygenation reactions with O2.

Synthesis of Unsymmetrical N-Heterocyclic Carbene-Nitrogen-Phosphine Chelated Ruthenium(II) Complexes and Their Reactivity in Acceptorless Dehydrogenative Coupling of Alcohols to Esters

Two novel ruthenium complexes RuH(CO)Cl(PPh3)(κ2-CP) (1) and [fac-RuH(CO)(PPh3)(κ3-CNP)]Cl (2) bearing unsymmetrical N-heterocyclic carbene-nitrogen-phosphine (CNP) were synthesized and characterized with 1H NMR, 31P NMR, and HRMS. The structure of complex 2 was further confirmed by single-crystal X-ray diffraction. An anion exchange experiment proved that complex 2 could transform into complex 1 in solution. The two complexes exhibited a highly catalytic performance in acceptorless dehydrogenative coupling of alcohols to esters, and the excellent isolated yields of esters were given in a catalyst loading of 1% for para- and meta-substituted benzyl alcohols and long-chain primary alcohols. Although some ortho-substituted benzyl alcohols displayed a relatively low reactivity due to the steric hindrance and the coordination of electron donor with the ruthenium center, the good product yields were still obtained by prolonging the reaction time. Especially, this system successfully realized the dehydrogenative cross-coupling to esters between two different primary alcohols.