Diethyl 2-aminothiophene-3,4-dicarboxylate

Base Information

• Chemical Name: Diethyl 2-aminothiophene-3,4-dicarboxylate
• CAS No.: 104680-25-3
• Molecular Formula: C10H13NO4S
• Molecular Weight: 243.28000
• Hs Code.: 2934999090
• European Community (EC) Number: 830-591-8
• Mol file: 104680-25-3.mol

Synonyms:104680-25-3;diethyl 2-aminothiophene-3,4-dicarboxylate;3,4-Diethyl 2-aminothiophene-3,4-dicarboxylate;Diethyl 2-amino-3,4-thiophenedicarboxylate;C10H13NO4S;MFCD08059079;2-Amino-thiophene-3,4-dicarboxylic acid diethyl ester;SCHEMBL4102678;AMY7481;PUNYRKPPRGWNOC-UHFFFAOYSA-N;AKOS000265303;diethyl2-aminothiophene-3,4-dicarboxylate;LS-06322;diethyl 2-aminothiophene-3,4-dicarboxyate;CS-0187354;D93351;EN300-188449;2-Amino-3,4-thiophenedicarboxylic acid diethyl ester

Chemical Property of Diethyl 2-aminothiophene-3,4-dicarboxylate

Chemical Property:

• Boiling Point: 341.5±37.0 °C(Predicted)
• PKA: -0.98±0.10(Predicted)
• PSA: 106.86000
• Density: 1.280±0.06 g/cm3(Predicted)
• LogP: 2.26490
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 243.05652907
• Heavy Atom Count: 16
• Complexity: 272

Purity/Quality:

98%min ^*data from raw suppliers

3,4-Diethyl2-Aminothiophene-3,4-dicarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CSC(=C1C(=O)OCC)N
• Use Description: 3,4-Diethyl 2-aminothiophene-3,4-dicarboxylate is a versatile chemical compound with applications in various fields. In the pharmaceutical industry, it serves as a key intermediate in the synthesis of complex organic molecules, including potential drug candidates. Its unique structure and functional groups make it valuable for the development of pharmaceuticals targeting various medical conditions. In the field of organic chemistry, it can play a role as a reagent or building block, enabling the creation of specific molecular arrangements and facilitating the synthesis of a wide range of organic compounds. Additionally, in the realm of materials science, this compound may find utility in the development of specialized polymers or materials with specific properties. However, the precise role and significance of 3,4-Diethyl 2-aminothiophene-3,4-dicarboxylate can vary depending on the specific research or industrial requirements within each field, demonstrating its potential versatility and importance in diverse scientific and industrial applications.

Technology Process of Diethyl 2-aminothiophene-3,4-dicarboxylate

There total 2 articles about Diethyl 2-aminothiophene-3,4-dicarboxylate 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%

→ diethyl 2-aminothiophene-3,4-dicarboxylate (104680-25-3)

Guidance literature:

With sulfur; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

With triethylamine; In N,N-dimethyl-formamide; at 60 - 70 ℃; for 12h;

Reference yield:

2-oxo-propionic acid ethyl ester (617-35-6) + ethyl 2-cyanoacetate (105-56-6) → diethyl 2-aminothiophene-3,4-dicarboxylate (104680-25-3)

Guidance literature:

With sulfur; triethylamine; In N,N-dimethyl-formamide; at 65 ℃; for 5h;

Reference yield:

diethyl 2-aminothiophene-3,4-dicarboxylate (104680-25-3) → 2,5-diamino-thiophene-3,4-dicarboxylic acid diethyl ester (80691-81-2) + diethyl 2-hydrazinothiophene-3,4-dicarboxylate hydrochloride (104680-24-2)

Guidance literature:

With hydrogenchloride; tin(ll) chloride; sodium nitrite; Yield given. Multistep reaction; 1.) water, -10 to 5 deg C, 30 min, 2.) 5 deg C, 30 min;

DOI:10.1021/jm00117a012

upstream raw materials:

2-oxo-propionic acid ethyl ester

ethyl 2-cyanoacetate

Downstream raw materials:

2,5-diamino-thiophene-3,4-dicarboxylic acid diethyl ester

diethyl 2-hydrazinothiophene-3,4-dicarboxylate hydrochloride

Refernces

• 1、 -. "Therapeutically Active Fused Pyrimidine Derivatives". Paragraph 0271. . Retrieved 2014/10/29.