N-benzylprop-2-ynamide

Base Information

• Chemical Name: N-benzylprop-2-ynamide
• CAS No.: 87605-11-6
• Molecular Formula: C10H9NO
• Molecular Weight: 159.188
• European Community (EC) Number: 871-254-5
• DSSTox Substance ID: DTXSID70401929
• Nikkaji Number: J1.632.849I
• Mol file: 87605-11-6.mol

Synonyms:N-benzylprop-2-ynamide;87605-11-6;Propynoic acid benzylamide;N-Benzylpropiolamide;n-benzyl-2-propynamide;N-benzyl-propargyl amide;SCHEMBL669951;DTXSID70401929;RNDFRWFHFZMEBE-UHFFFAOYSA-N;CS-0245569;EN300-306827;Z1509142729

Chemical Property of N-benzylprop-2-ynamide

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 159.068413911
• Heavy Atom Count: 12
• Complexity: 195

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC(=O)NCC1=CC=CC=C1

Technology Process of N-benzylprop-2-ynamide

There total 12 articles about N-benzylprop-2-ynamide 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: 93.0%

N-benzyl-3-(trimethylsilyl)prop-2-ynamide (89566-52-9) → propynoic acid benzylamide (87605-11-6)

Guidance literature:

With KF-Al₂O₃ (5 mol percent); In methanol; at 25 ℃; for 0.333333h;

DOI:10.1134/S1070428011120037

Reference yield: 91.9%

→ propynoic acid benzylamide (87605-11-6)

Guidance literature:

With benzotriazol-1-ol; N-[3-(N,N-dimethylamino)-propyl]-N'-ethyl-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 0 ℃;

Reference yield: 78.0%

benzylamine (100-46-9) + Propiolic acid (471-25-0) → propynoic acid benzylamide (87605-11-6)

Guidance literature:

With N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1002/cmdc.201402478

upstream raw materials:

benzylamine

Propiolic acid

N-benzyl-3-(trimethylsilyl)prop-2-ynamide

propynoic acid ethyl ester

Downstream raw materials:

4-Furan-2-yl-4-hydroxy-but-2-ynoic acid benzylamide

N-benzyl-4-hydroxy-4-phenyl-2-butynamide