N-(3-ethynylphenyl)acetamide

Base Information

• Chemical Name: N-(3-ethynylphenyl)acetamide
• CAS No.: 70933-58-3
• Molecular Formula: C10H9NO
• Molecular Weight: 159.188
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID80369405
• Wikidata: Q82156470
• Mol file: 70933-58-3.mol

Synonyms:N-(3-ethynylphenyl)acetamide;70933-58-3;3'-Ethynylacetanilide;3-acetamidophenylacetylene;SCHEMBL474644;3-(acetylamino)phenylacetylene;n-(3-ethynylphenyl);acetamide;N-(3-ethynyl-phenyl)-acetamide;DTXSID80369405;KPCKMWGCLHYFCN-UHFFFAOYSA-N;HMS1666N10;CCG-1873;VCA93358;MFCD00831583;AKOS005071198;CS-0134039;FT-0693698;EN300-744038;F10464;7Y-0831;A914887;J-523002

Chemical Property of N-(3-ethynylphenyl)acetamide

Chemical Property:

• Melting Point: 92-93
• PSA: 29.10000
• LogP: 1.69930
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 159.068413911
• Heavy Atom Count: 12
• Complexity: 213

Purity/Quality:

97% ^*data from raw suppliers

N-(3-Ethynylphenyl)acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC=CC(=C1)C#C

Technology Process of N-(3-ethynylphenyl)acetamide

There total 7 articles about N-(3-ethynylphenyl)acetamide 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: 99.0%

3-acetylenephenylamine (54060-30-9) + acetyl chloride (75-36-5) → N-(3-ethynylphenyl)acetamide (70933-58-3)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 25 ℃;

DOI:10.1021/jacs.7b08800

Reference yield: 96.0%

3-acetylenephenylamine (54060-30-9) + acetic anhydride (108-24-7) → N-(3-ethynylphenyl)acetamide (70933-58-3)

Guidance literature:

With dmap; In tetrahydrofuran; at 20 ℃; for 2h;

Reference yield: 93.0%

acetamide (60-35-5) + 3-bromophenylacetylene (766-81-4) → N-(3-ethynylphenyl)acetamide (70933-58-3)

Guidance literature:

With potassium phosphate; dicyclohexyl[3,6-dimethoxy-2′,4′,6′-tris(1-methylethyl)[1,1′-biphenyl]-2-yl]phosphine; palladium diacetate; In water; tert-butyl alcohol; at 110 ℃; for 4.5h; Inert atmosphere;

upstream raw materials:

3-acetylenephenylamine

acetic anhydride

acetyl chloride

acetonitrile

Downstream raw materials:

C₁₉H₁₄F₃N₃O

C₁₆H₁₃N₃O₃

C₂₈H₃₁F₂N₅O₁₀

C₁₀H₉BrClNO

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