4-Chlorobenzyl 4-chlorobenzoate

Base Information

• Chemical Name: 4-Chlorobenzyl 4-chlorobenzoate
• CAS No.: 19048-85-2
• Molecular Formula: C14H10Cl2O2
• Molecular Weight: 281.138
• NSC Number: 69979
• DSSTox Substance ID: DTXSID20940616
• Nikkaji Number: J341.541D
• Wikidata: Q82917308
• Mol file: 19048-85-2.mol

Synonyms:4-Chlorobenzyl 4-chlorobenzoate;(4-chlorophenyl)methyl 4-chlorobenzoate;19048-85-2;NSC 69979;Benzoic acid, 4-chloro-, (4-chlorophenyl)methyl ester;NSC69979;DTXSID20940616;NSC-69979

Chemical Property of 4-Chlorobenzyl 4-chlorobenzoate

Chemical Property:

• Vapor Pressure: 6.01E-06mmHg at 25°C
• Boiling Point: 379.1°Cat760mmHg
• Flash Point: 151.7°C
• PSA: 26.30000
• Density: 1.326g/cm³
• LogP: 4.35040
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 280.0057849
• Heavy Atom Count: 18
• Complexity: 267

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1COC(=O)C2=CC=C(C=C2)Cl)Cl

Technology Process of 4-Chlorobenzyl 4-chlorobenzoate

There total 21 articles about 4-Chlorobenzyl 4-chlorobenzoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

4-chlorobenzaldehyde (104-88-1) + benzyl-methyl-amine (103-67-3) → (4'-chlorobenzyl) 4-chlorobenzoate (19048-85-2) + N-benzyl-4-chloro-N-methylbenzamide (137374-28-8) + para-Chlorobenzyl alcohol (873-76-7)

Guidance literature:

tris(bis(trimethylsilyl)amido)lanthanum(III); In benzene-d6; at 25 ℃; for 24h;

DOI:10.1021/ol702788j

Reference yield: 98.0%

4-chlorobenzaldehyde (104-88-1) → (4'-chlorobenzyl) 4-chlorobenzoate (19048-85-2)

Guidance literature:

With Me₂SiCp''2Th(n-C₄H₉); In benzene-d6; at 25 ℃; for 24h; chemoselective reaction;

DOI:10.1021/ja105696p

Reference yield: 95.0%

p-chlorobenzoyl-1H-1,2,3-benzotriazole (4231-70-3) + para-Chlorobenzyl alcohol (873-76-7) → 1,2,3-Benzotriazole (95-14-7,27556-51-0) + (4'-chlorobenzyl) 4-chlorobenzoate (19048-85-2)

Guidance literature:

In neat (no solvent); at 20 ℃; for 2h;

DOI:10.14233/ajchem.2021.23358

upstream raw materials:

1-Chloro-4-(chloromethyl)benzene

para-chlorobenzoic acid

4-chlorobenzaldehyde

iodomethylbenzene

Refernces

• 1、 Sharifi, Sina,Sharifi, Hannah,Koza, Darrell,Aminkhani, Ali. "Disproportionation of aliphatic and aromatic aldehydes through Cannizzaro, Tishchenko, and Meerwein–Ponndorf–Verley reactions". . p. 803 - 808. Retrieved 2021/07/20.
• 2、 Hahnvajanawong, Viwat,Phungpis, Baramee. "N-Aroylbenzotriazoles as Efficient Reagents for o-Aroylation in Absence of Organic Solvent". . p. 2671 - 2674. Retrieved 2021/10/25.