Ethyl 2,4-dichlorobenzoylformate

Base Information

• Chemical Name: Ethyl 2,4-dichlorobenzoylformate
• CAS No.: 34966-51-3
• Molecular Formula: C₁₀H₈Cl₂O₃
• Molecular Weight: 247.078
• DSSTox Substance ID: DTXSID80371341
• Nikkaji Number: J836.793K
• Wikidata: Q82158643
• Mol file: 34966-51-3.mol

Synonyms:ETHYL 2,4-DICHLOROBENZOYLFORMATE;34966-51-3;ethyl 2-(2,4-dichlorophenyl)-2-oxoacetate;MFCD03094603;Ethyl 2,4-dichlorophenylglyoxylate;ETHYL2,4-DICHLOROBENZOYLFORMATE;(2,4-dichloro-phenyl)-oxo-acetic acid ethyl ester;SCHEMBL2706971;DTXSID80371341;JENLPPADOGFHRQ-UHFFFAOYSA-N;AKOS009158598;CS-0256153;ethyl 2,4-dichlorobenzoylformate, AldrichCPR;I12016;alpha-Oxo-2,4-dichlorobenzeneacetic acid ethyl ester

Chemical Property of Ethyl 2,4-dichlorobenzoylformate

Chemical Property:

• Vapor Pressure: 5.78E-05mmHg at 25°C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 245.9850495
• Heavy Atom Count: 15
• Complexity: 255

Purity/Quality:

95% ^*data from raw suppliers

Ethyl2,4-dichlorobenzoylformate 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

Useful:

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

Technology Process of Ethyl 2,4-dichlorobenzoylformate

There total 7 articles about Ethyl 2,4-dichlorobenzoylformate 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: 90.0%

(2,4-dichloro-phenyl)-hydroxy-acetic acid ethyl ester (41204-18-6) → 2,4-dichloro-α-oxo-benzeneacetic ethyl ester (34966-51-3)

Guidance literature:

With acetic anhydride; dimethyl sulfoxide; at 90 ℃; for 1h;

DOI:10.1248/cpb.46.84

Reference yield: 89.0%

2,4-dichloro-1-iodo-benzene (29898-32-6) + oxalic acid diethyl ester (95-92-1) → 2,4-dichloro-α-oxo-benzeneacetic ethyl ester (34966-51-3)

Guidance literature:

2,4-dichloro-1-iodo-benzene; With iodine; magnesium; at 20 ℃; for 1h; Inert atmosphere;

oxalic acid diethyl ester; at 20 ℃; for 4h; Inert atmosphere;

DOI:10.1016/j.bmcl.2019.126794

Reference yield: 80.0%

ethyl bromide (74-96-4) + 2,4-dichloro-1-iodo-benzene (29898-32-6) + oxalic acid diethyl ester (95-92-1) → 2,4-dichloro-α-oxo-benzeneacetic ethyl ester (34966-51-3)

Guidance literature:

With ammonium chloride; sodium hydrogensulfite; magnesium; In diethyl ether;

upstream raw materials:

Ethyl oxalyl chloride

1,3-Dichlorobenzene

(2,4-dichloro-phenyl)-hydroxy-acetic acid ethyl ester

2,4-dichlorobenzaldeyhde

Downstream raw materials:

dichloro-(2,4-dichloro-phenyl)-acetic acid ethyl ester

dichloro-(2,4-dichloro-phenyl)-acetic acid

(E)-4-Bromo-2-(2,4-dichloro-phenyl)-3-methyl-but-2-enoic acid ethyl ester

2-(2,4-Dichloro-phenyl)-3-methyl-but-2-enoic acid ethyl ester

Refernces

• 1、 -. "POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF". Paragraph 0449; 0450. . Retrieved 2016/02/19.
• 2、 Seki, Toshimi,Kanada, Arihiro,Nakao, Tomio,Shiraiwa, Masahumi,Asano, Hajime,Miyazawa, Katuhiko,Ishimori, Tsutomu,Minami, Nobuyoshi,Shibata, Kenyu,Yasuda, Kikuo. "Studies on agents with vasodilator and β-blocking activities. V. Synthesis and pharmacological activity of the optical isomers of TZC-5665". . p. 84 - 96. Retrieved 2007/10/03.