3-Thiophenecarboxylic acid, 4-methyl-2-((4-morpholinylacetyl)amino)-5-(2-(4-morpholinyl)-2-oxoethyl)-, ethyl ester

Base Information

• Chemical Name: 3-Thiophenecarboxylic acid, 4-methyl-2-((4-morpholinylacetyl)amino)-5-(2-(4-morpholinyl)-2-oxoethyl)-, ethyl ester
• CAS No.: 105522-93-8
• Molecular Formula: C₂₀H₂₉N₃O₆S
• Molecular Weight: 439.533
• DSSTox Substance ID: DTXSID80147184
• Wikidata: Q83012400
• Mol file: 105522-93-8.mol

Synonyms:BRN 5654169;3-Thiophenecarboxylic acid, 4-methyl-2-((4-morpholinylacetyl)amino)-5-(2-(4-morpholinyl)-2-oxoethyl)-, ethyl ester;105522-93-8;C20H29N3O6S;DTXSID80147184;C20-H29-N3-O6-S;LS-153030

Chemical Property of 3-Thiophenecarboxylic acid, 4-methyl-2-((4-morpholinylacetyl)amino)-5-(2-(4-morpholinyl)-2-oxoethyl)-, ethyl ester

Chemical Property:

• Vapor Pressure: 8.1E-18mmHg at 25°C
• Boiling Point: 670.1°Cat760mmHg
• Flash Point: 359°C
• Density: 1.299g/cm³
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 439.17770683
• Heavy Atom Count: 30
• Complexity: 609

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(SC(=C1C)CC(=O)N2CCOCC2)NC(=O)CN3CCOCC3

Technology Process of 3-Thiophenecarboxylic acid, 4-methyl-2-((4-morpholinylacetyl)amino)-5-(2-(4-morpholinyl)-2-oxoethyl)-, ethyl ester

There total 3 articles about 3-Thiophenecarboxylic acid, 4-methyl-2-((4-morpholinylacetyl)amino)-5-(2-(4-morpholinyl)-2-oxoethyl)-, ethyl ester 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: 39.0%

morpholine (110-91-8,99108-56-2) + Ethyl 2-chloroacetylamino-3-ethoxycarbonyl-4-methyl-5-thiopheneacetate (105522-79-0) → 2-Morpholinomethylcarbonylamino-3-ethoxycarbonyl-4-methyl-5-thiopheneacetic acid morpholide (105522-93-8)

Guidance literature:

for 1.5h; Heating;

DOI:10.1007/BF00766872

Reference yield:

Ethyl 2-cyano-3-methyl-2-hexene-1,6-dicarboxylate (52567-30-3) → 2-Morpholinomethylcarbonylamino-3-ethoxycarbonyl-4-methyl-5-thiopheneacetic acid morpholide (105522-93-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 75.3 percent / sulfur, piperidine / ethanol / Heating

2: 41 percent / benzene / 1 h / Heating

3: 39 percent / 1.5 h / Heating

With piperidine; sulfur; In ethanol; benzene;

DOI:10.1007/BF00766872

Reference yield:

Ethyl 2-amino-3-ethoxycarbonyl-4-methyl-5-thiopheneacetate → 2-Morpholinomethylcarbonylamino-3-ethoxycarbonyl-4-methyl-5-thiopheneacetic acid morpholide (105522-93-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 41 percent / benzene / 1 h / Heating

2: 39 percent / 1.5 h / Heating

In benzene;

DOI:10.1007/BF00766872

upstream raw materials:

morpholine

Ethyl 2-chloroacetylamino-3-ethoxycarbonyl-4-methyl-5-thiopheneacetate

Ethyl 2-cyano-3-methyl-2-hexene-1,6-dicarboxylate