Ethyl 4-(3,4-dimethoxyphenyl)-2,4-dioxobutanoate

Base Information

• Chemical Name: Ethyl 4-(3,4-dimethoxyphenyl)-2,4-dioxobutanoate
• CAS No.: 70909-46-5
• Molecular Formula: C14H16O6
• Molecular Weight: 280.277
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID90655689
• Nikkaji Number: J2.792.445J
• Wikidata: Q82569905
• Mol file: 70909-46-5.mol

Synonyms:ethyl 4-(3,4-dimethoxyphenyl)-2,4-dioxobutanoate;70909-46-5;SCHEMBL1110132;DTXSID90655689;QKDCYXNBYBQHTI-UHFFFAOYSA-N;MFCD03411532;STL170042;AKOS000210540;LS-05080;ethyl4-(3,4-dimethoxyphenyl)-2,4-dioxobutanoate;2,4-Dioxo-4-(3,4-dimethoxyphenyl)butyric acid ethyl ester;4-(3,4-dimethoxyphenyl)-2,4-dioxobutanoic acid ethyl ester

Chemical Property of Ethyl 4-(3,4-dimethoxyphenyl)-2,4-dioxobutanoate

Chemical Property:

• Melting Point: 104-105 °C
• Boiling Point: 423.1±35.0 °C(Predicted)
• PKA: 6.94±0.48(Predicted)
• PSA: 78.90000
• Density: 1.189±0.06 g/cm3(Predicted)
• LogP: 1.40880
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 280.09468823
• Heavy Atom Count: 20
• Complexity: 365

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl 4-(3,4-dimethoxyphenyl)-2,4-dioxobutanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Ethyl 4-(3,4-dimethoxyphenyl)-2,4-dioxobutanoate

There total 1 articles about Ethyl 4-(3,4-dimethoxyphenyl)-2,4-dioxobutanoate 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: 94.0%

oxalic acid diethyl ester (95-92-1) + 1-(3,4-dimethoxyphenyl)ethanone (1131-62-0) → ethyl 4-(3,4-dimethoxyphenyl)-2,4-dioxobutanoate (70909-46-5)

Guidance literature:

With sodium ethanolate; In diethyl ether; at 20 - 25 ℃; for 2h; Inert atmosphere;

Reference yield: 96.0%

ethyl 4-(3,4-dimethoxyphenyl)-2,4-dioxobutanoate (70909-46-5) → ethyl 5-(3,4-dimethoxyphenyl)-1,1-dioxo-2H-1lambda6-2,6-dithiadiazine-3-carboxylate

Guidance literature:

With hydrogenchloride; SULFAMIDE; In ethanol; at 60 ℃;

Reference yield: 92.0%

ethyl 4-(3,4-dimethoxyphenyl)-2,4-dioxobutanoate (70909-46-5) + 3(5)-phenylpyrazol-5(3)-amine (1572-10-7) → ethyl 7-(3,4-dimethoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate

Guidance literature:

With hydrogenchloride; In ethanol; for 4h; Reflux;

DOI:10.1039/c7md00193b

upstream raw materials:

oxalic acid diethyl ester

1-(3,4-dimethoxyphenyl)ethanone

Downstream raw materials:

4-(3,4-dimethoxy-phenyl)-2,4-dioxo-butyric acid

C₁₂H₁₃NO₄

C₁₂H₁₁NO₄

ethyl 5-(3,4-dimethoxyphenyl)-isoxazole-3-carboxylate

Refernces

• 1、 Saeedi, Mina,Felegari, Peyman,Iraji, Aida,Hariri, Roshanak,Rastegari, Arezoo,Mirfazli, S. Sara,Edraki, Najmeh,Firuzi, Omidreza,Mahdavi, Mohammad,Akbarzadeh, Tahmineh. "Novel N-benzylpiperidine derivatives of 5-arylisoxazole-3-carboxamides as anti-Alzheimer's agents". . . Retrieved 2020/11/30.
• 2、 -. "THIADIAZINE DERIVATIVES". Page/Page column 35; 36. . Retrieved 2020/02/06.