Ethyl 3,4-dichlorophenylglyoxylate

Base Information

• Chemical Name: Ethyl 3,4-dichlorophenylglyoxylate
• CAS No.: 34966-52-4
• Molecular Formula: C10H8Cl2O3
• Molecular Weight: 247.078
• Hs Code.: 29163990
• European Community (EC) Number: 675-312-9
• DSSTox Substance ID: DTXSID40371342
• Nikkaji Number: J2.316.155I
• Wikidata: Q82158645
• Mol file: 34966-52-4.mol

Synonyms:ethyl 3,4-dichlorophenylglyoxylate;34966-52-4;Ethyl 3,4-dichlorobenzoylformate;ethyl 2-(3,4-dichlorophenyl)-2-oxoacetate;MFCD01934864;Ethyl 2-(3,4-dichlorophenyl)-2-oxo-acetate;(3,4-dichlorophenyl)glyoxylic acid ethyl ester;3,4-Dichloro-oxo-benzeneacetic acid ethyl ester;SCHEMBL2643972;DTXSID40371342;NWUGRKGSCYOUFF-UHFFFAOYSA-N;AKOS009158710;ethyl (3,4-dichlorophenyl)(oxo)acetate;DS-13819;SY033054;CS-0030397;FT-0625855;(3,4-dichlorophenyl)oxoacetic acid ethyl ester;ethyl 3,4-dichlorophenylglyoxylate, AldrichCPR;A822483;(3,4-Dichloro-phenyl)-oxo-acetic acid ethyl ester;alpha-Oxo-3,4-dichlorobenzeneacetic acid ethyl ester

Chemical Property of Ethyl 3,4-dichlorophenylglyoxylate

Chemical Property:

• Vapor Pressure: 4.4E-05mmHg at 25°C
• Refractive Index: 1.542
• Boiling Point: 350.4 °C at 760 mmHg
• Flash Point: 149.2 °C
• PSA: 43.37000
• Density: 1.362 g/cm³
• LogP: 2.73920
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4
• 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:

98%min ^*data from raw suppliers

Ethyl (3,4-dichlorophenyl)(oxo)acetate, tech 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 3,4-dichlorophenylglyoxylate

There total 6 articles about Ethyl 3,4-dichlorophenylglyoxylate 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: 74.0%

3,4-dichlorophenylmagnesium bromide (79175-35-2) + imidazol-1-yl-oxo-acetic acid ethyl ester (75716-82-4) → ethyl 2‐(3,4‐dichlorophenyl)‐2‐oxoacetate (34966-52-4)

Guidance literature:

In tetrahydrofuran; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1021/ol101555g

Reference yield: 65.0%

C11H11Cl2NO (96605-05-9) + ethanol (64-17-5) → ethyl 2‐(3,4‐dichlorophenyl)‐2‐oxoacetate (34966-52-4)

Guidance literature:

With acetic acid; Rose Bengal lactone; at 20 ℃; for 24h; chemoselective reaction; Molecular sieve; Photolysis;

DOI:10.1039/c9gc01357a

Reference yield:

ethyl 2-(3,4-dichlorophenyl)-2-hydroxyacetate (13627-07-1) → ethyl 2‐(3,4‐dichlorophenyl)‐2‐oxoacetate (34966-52-4)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 0 ℃;

DOI:10.1002/anie.201907606

upstream raw materials:

3,4-dichlorophenylmagnesium bromide

imidazol-1-yl-oxo-acetic acid ethyl ester

C₁₁H₁₁Cl₂NO

ethanol

Downstream raw materials:

(R)-ethyl 2-(3,4-dichlorophenyl)-2-hydroxy-3-nitropropanoate

2-(3,4-dichlorophenyl)-2,2-difluoroacetic acid ethyl ester

(R)-[(2S)-2-(3,4-dichlorophenyl)oxetan-2-yl](pyridin-2-yl)methanol hydrochloride salt

(R)-((R)-2-(3,4-dichlorophenyl)oxetan-2-yl)(pyridin-2-yl)methanol hydrochloride

Refernces

• 1、 -. "ARYLACETAMIDE ANALOGS OF PIPERAZINE-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINES". . . Retrieved 2021/12/31.
• 2、 Yu, Qing,Zhang, Yating,Wan, Jie-Ping. "Ambient and aerobic carbon-carbon bond cleavage toward α-ketoester synthesis by transition-metal-free photocatalysis". supporting information. p. 3436 - 3441. Retrieved 2019/06/24.