beta-Oxo-N-phenyl-2-thiophenepropanamide

Base Information

• Chemical Name: beta-Oxo-N-phenyl-2-thiophenepropanamide
• CAS No.: 23058-91-5
• Molecular Formula: C₁₃H₁₁NO₂S
• Molecular Weight: 245.302
• DSSTox Substance ID: DTXSID601285687
• Nikkaji Number: J3.342.134F
• Mol file: 23058-91-5.mol

Synonyms:SCHEMBL6301755;DTXSID601285687;beta-Oxo-N-phenyl-2-thiophenepropanamide;23058-91-5

Chemical Property of beta-Oxo-N-phenyl-2-thiophenepropanamide

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 245.05104977
• Heavy Atom Count: 17
• Complexity: 287

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=O)CC(=O)C2=CC=CS2

Technology Process of beta-Oxo-N-phenyl-2-thiophenepropanamide

There total 4 articles about beta-Oxo-N-phenyl-2-thiophenepropanamide 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:

N-phenyl-N-(3-(thiophen-2-yl)prop-2-ynyl)hydroxylamine → 3-oxo-N-phenyl-3-(thiophen-2-yl)propanamide (23058-91-5)

Guidance literature:

With oxygen; copper(l) chloride; In tetrahydrofuran; at 40 ℃; for 6h; under 760.051 Torr;

DOI:10.1002/chem.201404201

Reference yield:

N-Phenylhydroxylamine (100-65-2) → 3-oxo-N-phenyl-3-(thiophen-2-yl)propanamide (23058-91-5)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl acetamide / 2 h / 28 °C / Inert atmosphere

2: copper(l) chloride; oxygen / tetrahydrofuran / 6 h / 40 °C / 760.05 Torr

With oxygen; potassium carbonate; copper(l) chloride; In tetrahydrofuran; N,N-dimethyl acetamide;

DOI:10.1002/chem.201404201

Reference yield:

2-(3-bromoprop-1-yn-1-yl)thiophene → 3-oxo-N-phenyl-3-(thiophen-2-yl)propanamide (23058-91-5)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl acetamide / 2 h / 28 °C / Inert atmosphere

2: copper(l) chloride; oxygen / tetrahydrofuran / 6 h / 40 °C / 760.05 Torr

With oxygen; potassium carbonate; copper(l) chloride; In tetrahydrofuran; N,N-dimethyl acetamide;

DOI:10.1002/chem.201404201

upstream raw materials:

ethyl 2-thenoylacetate

aniline

N-Phenylhydroxylamine