N-[5-(dimethylaminomethylidene)-6-oxo-4H-cyclopenta[b]thiophen-4-yl]-2,2,2-trifluoroacetamide

Base Information

• Chemical Name: N-[5-(dimethylaminomethylidene)-6-oxo-4H-cyclopenta[b]thiophen-4-yl]-2,2,2-trifluoroacetamide
• CAS No.: 865659-09-2
• Molecular Formula: C₁₂H₁₁F₃N₂O₂S
• Molecular Weight: 304.293
• DSSTox Substance ID: DTXSID701112354
• Mol file: 865659-09-2.mol

Synonyms:865659-09-2;DTXSID701112354;AKOS016340021;N-[5-[(Dimethylamino)methylene]-5,6-dihydro-6-oxo-4H-cyclopenta[b]thien-4-yl]-2,2,2-trifluoroacetamide

Chemical Property of N-[5-(dimethylaminomethylidene)-6-oxo-4H-cyclopenta[b]thiophen-4-yl]-2,2,2-trifluoroacetamide

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 304.04933326
• Heavy Atom Count: 20
• Complexity: 462

Purity/Quality:

N-(5-((Z)-(DIMETHYLAMINO)METHYLIDENE)-6-OXO-4,6-DIHYDRO-5H-CYCLOPENTA(B)THIOPHEN-4-YL)-2,2,2-TRIFLUOROACETAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN(C)C=C1C(C2=C(C1=O)SC=C2)NC(=O)C(F)(F)F

Technology Process of N-[5-(dimethylaminomethylidene)-6-oxo-4H-cyclopenta[b]thiophen-4-yl]-2,2,2-trifluoroacetamide

There total 1 articles about N-[5-(dimethylaminomethylidene)-6-oxo-4H-cyclopenta[b]thiophen-4-yl]-2,2,2-trifluoroacetamide 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: 98.0%

2,2,2-trifluoro-N-(5,6-dihydro-6-oxo-4H-cyclopenta[b]thiophen-4-yl)acetamide (108046-14-6) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → N-{(5E)-5-[(dimethylamino)methylene]-6-oxo-5,6-dihydro-4H-cyclopenta[b]thien-4-yl}-2,2,2-trifluoroacetamide (1459700-82-3,865659-09-2)

Guidance literature:

With N,N-dimethyl acetamide; In toluene; for 8h; stereoselective reaction; Reflux;

DOI:10.1039/c3md00041a

upstream raw materials:

2,2,2-trifluoro-N-(5,6-dihydro-6-oxo-4H-cyclopenta[b]thiophen-4-yl)acetamide

N,N-dimethyl-formamide