Ethyl 2,4-dichlorobenzoate

Base Information

• Chemical Name: Ethyl 2,4-dichlorobenzoate
• CAS No.: 56882-52-1
• Molecular Formula: C9H8Cl2O2
• Molecular Weight: 219.067
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID10205408
• Nikkaji Number: J1.619.546D
• Wikidata: Q83078989
• Mol file: 56882-52-1.mol

Synonyms:Ethyl 2,4-dichlorobenzoate;56882-52-1;Benzoic acid, 2,4-dichloro-, ethyl ester;2,4-Dichlorobenzoic acid ethyl ester;Benzoic acid, 2,?4-?dichloro-?, ethyl ester;ethyl 2,4-dichloro-benzoate;SCHEMBL522136;Ethyl 2,4-dichlorobenzoate #;DTXSID10205408;AMY28348;MFCD00277702;AKOS002723301;AS-16151;CS-0343093;FT-0723150;I11387

Chemical Property of Ethyl 2,4-dichlorobenzoate

Chemical Property:

• Vapor Pressure: 0.00595mmHg at 25°C
• Refractive Index: 1.537
• Boiling Point: 272.8 °C at 760 mmHg
• Flash Point: 111.8 °C
• PSA: 26.30000
• Density: 1.305 g/cm³
• LogP: 3.17010
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 217.9901349
• Heavy Atom Count: 13
• Complexity: 185

Purity/Quality:

98% min ^*data from raw suppliers

Ethyl2,4-Dichlorobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C=C(C=C1)Cl)Cl

Technology Process of Ethyl 2,4-dichlorobenzoate

There total 7 articles about Ethyl 2,4-dichlorobenzoate 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: 70.0%

ethanol (64-17-5) + 2,4-dichlorobenzaldeyhde (874-42-0) → ethyl 2,4-dichlorobenzoate (56882-52-1)

Guidance literature:

With urea-2,2-dihydroperoxypropane; hydrogen bromide; acetic acid; at 20 ℃; for 10h;

DOI:10.1002/jccs.201600777

Reference yield:

ethanol (64-17-5) + 2,4 dichlorobenzoic acid (50-84-0) → ethyl 2,4-dichlorobenzoate (56882-52-1)

Guidance literature:

With sulfuric acid; for 3h; Heating;

DOI:10.1016/j.ejmech.2006.03.002

Reference yield:

2,4-dichlorobenzoyl chloride (89-75-8) → ethyl 2,4-dichlorobenzoate (56882-52-1)

Guidance literature:

In ethanol;

upstream raw materials:

ethanol

2,4-dichlorobenzoyl chloride

sodium ethanolate

2,4 dichlorobenzoic acid

Downstream raw materials:

2,4-dichloro-1-(prop-1-en-2-yl)benzene

2,4 dichlorobenzoic acid

methyl 2,4-dichlorobenzoate

2-(chloromethyl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole

Refernces

• 1、 Bai, Hangyu,Jiang, Weiqi,Li, Qi,Li, Tian,Ma, Shichuang,Shi, Baojun,Wu, Wenjun. "Design, Synthesis, and Study of the Insecticidal Activity of Novel Steroidal 1,3,4-Oxadiazoles". . p. 11572 - 11581. Retrieved 2021/10/12.
• 2、 Tian, Kun,Li, Xiao-Qin,Zhang, Li,Gan, Yi-Yuan,Meng, Jiao,Wu, Shou-Qun,Wan, Jin-Lin,Xu, Yang,Cai, Chao-Ting,Ouyang, Gui-Ping,Wang, Zhen-Chao. "Synthesis of novel indole derivatives containing double 1,3,4-oxadiazole moiety as efficient bactericides against phytopathogenic bacterium Xanthomonas oryzae". . p. 17 - 25. Retrieved 2019/02/12.