N-(1-Phenylprop-2-yn-1-yl)acetamide

Base Information

• Chemical Name: N-(1-Phenylprop-2-yn-1-yl)acetamide
• CAS No.: 123772-66-7
• Molecular Formula: C11H11NO
• Molecular Weight: 173.214
• DSSTox Substance ID: DTXSID20566971
• Nikkaji Number: J2.799.227G
• Mol file: 123772-66-7.mol

Synonyms:N-(1-Phenylprop-2-yn-1-yl)acetamide;123772-66-7;DTXSID20566971;AKOS023556303

Chemical Property of N-(1-Phenylprop-2-yn-1-yl)acetamide

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 173.084063974
• Heavy Atom Count: 13
• Complexity: 220

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-(1-Phenylprop-2-yn-1-yl)acetamide

There total 10 articles about N-(1-Phenylprop-2-yn-1-yl)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: 100.0%

1-Phenyl-2-propyn-1-ol (4187-87-5) + acetonitrile (75-05-8,26809-02-9) → N-(α-phenylpropargyl)acetamide (123772-66-7)

Guidance literature:

With sulfuric acid; sodium sulfate; at -25 - 20 ℃; for 48h; Inert atmosphere;

DOI:10.1007/s10822-018-0102-5

Reference yield: 83.0%

1-Phenyl-2-propyn-1-ol (4187-87-5) + acetonitrile (75-05-8,26809-02-9) → N-(α-phenylpropargyl)acetamide (123772-66-7) + 3-phenyl-propenal (104-55-2)

Guidance literature:

With sulfuric acid; sodium sulfate; for 48h; Ambient temperature;

Reference yield: 79.0%

acetamide (60-35-5) + 1-Phenyl-2-propyn-1-ol (4187-87-5) → N-(α-phenylpropargyl)acetamide (123772-66-7)

Guidance literature:

With ammonium tetrafluoroborate; [(Cp^*)RuCl(SMe)]2; In 1,2-dichloro-ethane; at 20 ℃; for 2h;

DOI:10.1002/chem.200400833

upstream raw materials:

1-phenylprop-2-ynyl-1-amine

acetyl chloride

1-Phenyl-2-propyn-1-ol

acetonitrile

Downstream raw materials:

2,5-dimethyl-4-phenyloxazole

1-phenylprop-2-ynyl-1-amine

(+/-)-N-1-acetyl-1-phenyl-2-propenylamine

4,5-dihydro-2-methyl-5-methylene-2-phenyloxazole