(2,4-Dichlorophenyl) benzoate

Base Information

• Chemical Name: (2,4-Dichlorophenyl) benzoate
• CAS No.: 7396-91-0
• Molecular Formula: C13H8Cl2O2
• Molecular Weight: 267.111
• NSC Number: 99828
• DSSTox Substance ID: DTXSID40295130
• Nikkaji Number: J2.615.854K
• Wikidata: Q82034871
• Mol file: 7396-91-0.mol

Synonyms:7396-91-0;(2,4-dichlorophenyl) benzoate;NSC99828;2,4-dichlorophenyl benzoate;NCIOpen2_007303;SCHEMBL8207859;DTXSID40295130;NSC-99828;AKOS003435438

Chemical Property of (2,4-Dichlorophenyl) benzoate

Chemical Property:

• Vapor Pressure: 6.22E-07mmHg at 25°C
• Boiling Point: 410°Cat760mmHg
• Flash Point: 174°C
• Density: 1.357g/cm³
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 265.9901349
• Heavy Atom Count: 17
• Complexity: 264

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Cl)Cl

Technology Process of (2,4-Dichlorophenyl) benzoate

There total 8 articles about (2,4-Dichlorophenyl) benzoate 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: 85.0%

benzoic acid (65-85-0,8013-63-6) + 2,4-dichlorophenol (120-83-2,40477-79-0) → 2,4-dichlorophenyl benzoate (7396-91-0)

Guidance literature:

With triphenylphosphine; In acetonitrile; for 5h; Heating;

DOI:10.1021/jo8000782

Reference yield: 70.0%

benzoyl chloride (98-88-4) + 2,4-dichlorophenol (120-83-2,40477-79-0) → 2,4-dichlorophenyl benzoate (7396-91-0)

Guidance literature:

With Mg-Al hydrotalcite with Mg/Al molar ratio in 2-3.5; In water; at 20 ℃; for 0.0833333h;

DOI:10.3184/174751912X13460810792101

Reference yield: 51.0%

benzaldehyde (100-52-7) + 2,4-dichlorophenol (120-83-2,40477-79-0) → 2,4-dichlorophenyl benzoate (7396-91-0)

Guidance literature:

With iron(II) triflate; potassium tert-butylate; 1,3-bis[(2,6-diisopropyl)phenyl]imidazolinium chloride; In 1,4-dioxane; at 90 ℃; for 24h;

DOI:10.1039/c1ob05151b

upstream raw materials:

benzoyl chloride

2,4-dichlorophenol

2,6-dichloro-3-hydroxybenzaldehyde

meta-hydroxybenzaldehyde

Downstream raw materials:

2,4-dichlorophenol

Refernces

• 1、 Reddy, R. Sudarshan,Rosa, Joao N.,Veiros, Luis F.,Caddick, Stephen,Gois, Pedro M. P.. "NHC/Iron cooperative catalysis: Aerobic oxidative esterification of aldehydes with phenols". supporting information; experimental part. p. 3126 - 3129. Retrieved 2011/05/12.
• 2、 Iranpoor, Nasser,Firouzabadi, Habib,Khalili, Dariush,Motevalli, Somayeh. "Easily prepared azopyridines as potent and recyclable reagents for facile esterification reactions. An efficient modified mitsunobu reaction". . p. 4882 - 4887. Retrieved 2008/09/21.