3-Thiophenecarboxylic acid, 2-((4-morpholinylacetyl)amino)-4-phenyl-, ethyl ester

Base Information

• Chemical Name: 3-Thiophenecarboxylic acid, 2-((4-morpholinylacetyl)amino)-4-phenyl-, ethyl ester
• CAS No.: 77261-23-5
• Molecular Formula: C₁₉H₂₂N₂O₄S
• Molecular Weight: 374.461
• NSC Number: 350011
• DSSTox Substance ID: DTXSID20227999
• Wikidata: Q83107861
• Mol file: 77261-23-5.mol

Synonyms:77261-23-5;3-Thiophenecarboxylic acid, 2-((4-morpholinylacetyl)amino)-4-phenyl-, ethyl ester;BRN 5625272;NSC350011;Ethyl 2-((4-morpholinylacetyl)amino)-4-phenyl-3-thiophenecarboxylate;ethyl 2-[(morpholin-4-ylacetyl)amino]-4-phenylthiophene-3-carboxylate;DTXSID20227999;STL051353;AKOS003684611;NSC 350011;NSC-350011

Chemical Property of 3-Thiophenecarboxylic acid, 2-((4-morpholinylacetyl)amino)-4-phenyl-, ethyl ester

Chemical Property:

• Vapor Pressure: 5.99E-13mmHg at 25°C
• Boiling Point: 568.7°C at 760 mmHg
• Flash Point: 297.7°C
• Density: 1.263g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 374.13002836
• Heavy Atom Count: 26
• Complexity: 478

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCOCC3

Technology Process of 3-Thiophenecarboxylic acid, 2-((4-morpholinylacetyl)amino)-4-phenyl-, ethyl ester

There total 5 articles about 3-Thiophenecarboxylic acid, 2-((4-morpholinylacetyl)amino)-4-phenyl-, 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: 69.5%

morpholine (110-91-8,99108-56-2) + ethyl 2-(2-chloroacetamido)-4-phenylthiophene-3-carboxylate (77261-21-3) → 2-(2-Morpholin-4-yl-acetylamino)-4-phenyl-thiophene-3-carboxylic acid ethyl ester (77261-23-5)

Guidance literature:

for 1.5h; Heating;

Reference yield:

ethyl 2-cyano-3-phenylbut-2-enoate (14533-92-7,17277-47-3,18300-89-5) → 2-(2-Morpholin-4-yl-acetylamino)-4-phenyl-thiophene-3-carboxylic acid ethyl ester (77261-23-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 76 percent / sulphur, diethylamine / ethanol / 1.5 h

2: 82.5 percent

3: 69.5 percent / 1.5 h / Heating

With sulfur; diethylamine; In ethanol;

Reference yield:

acetophenone (98-86-2) → 2-(2-Morpholin-4-yl-acetylamino)-4-phenyl-thiophene-3-carboxylic acid ethyl ester (77261-23-5)

Guidance literature:

Multi-step reaction with 4 steps

1: 59 percent / acetic acid, ammonium acetate / benzene / Heating

2: 76 percent / sulphur, diethylamine / ethanol / 1.5 h

3: 82.5 percent

4: 69.5 percent / 1.5 h / Heating

With ammonium acetate; sulfur; acetic acid; diethylamine; In ethanol; benzene;

upstream raw materials:

morpholine

ethyl 2-(2-chloroacetamido)-4-phenylthiophene-3-carboxylate

ethyl 2-amino-4-phenyl-thiophene-3-carboxylate

ethyl 2-cyano-3-phenylbut-2-enoate

Refernces