Ethyl tetrahydro-4-oxo-2-phenyl-3-thiophenecarboxylate

Base Information

• Chemical Name: Ethyl tetrahydro-4-oxo-2-phenyl-3-thiophenecarboxylate
• CAS No.: 38293-64-0
• Molecular Formula: C₁₃H₁₄O₃S
• Molecular Weight: 250.318
• DSSTox Substance ID: DTXSID201211074
• Mol file: 38293-64-0.mol

Synonyms:Ethyl tetrahydro-4-oxo-2-phenyl-3-thiophenecarboxylate;DTXSID201211074;38293-64-0

Chemical Property of Ethyl tetrahydro-4-oxo-2-phenyl-3-thiophenecarboxylate

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 250.06636548
• Heavy Atom Count: 17
• Complexity: 297

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1C(SCC1=O)C2=CC=CC=C2

Technology Process of Ethyl tetrahydro-4-oxo-2-phenyl-3-thiophenecarboxylate

There total 5 articles about Ethyl tetrahydro-4-oxo-2-phenyl-3-thiophenecarboxylate 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:

2-chloroacetyl-3-phenyl-acrylic acid ethyl ester (82617-90-1,107812-94-2) → ethyl 2-phenyl-4-oxothiolane-3-carboxylate (38293-64-0)

Guidance literature:

With sodium hydrogensulfide; ethanol;

DOI:10.1021/ja01239a041

Reference yield:

ethyl (2-chloroaceto)acetate (638-07-3) → ethyl 2-phenyl-4-oxothiolane-3-carboxylate (38293-64-0)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogen chloride

2: sodium hydrogensulfide; ethanol

With hydrogenchloride; sodium hydrogensulfide; ethanol;

DOI:10.1021/ja01239a041

Reference yield:

benzaldehyde (100-52-7) → ethyl 2-phenyl-4-oxothiolane-3-carboxylate (38293-64-0)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogen chloride

2: sodium hydrogensulfide; ethanol

With hydrogenchloride; sodium hydrogensulfide; ethanol;

DOI:10.1021/ja01239a041

upstream raw materials:

2-chloroacetyl-3-phenyl-acrylic acid ethyl ester

ethyl (2-chloroaceto)acetate

benzaldehyde

Downstream raw materials:

4,5-dihydro-5-phenyl-3(2H)-thiophenone

C₃₈H₃₀N₂O₉S

Acetic acid 2-(2,4-dioxo-5-phenyl-3,4,5,7-tetrahydro-2H-thieno[3,4-d]pyrimidin-1-ylmethoxy)-ethyl ester

5-Phenyl-2,4-bis-trimethylsilanyloxy-5,7-dihydro-thieno[3,4-d]pyrimidine