2-cyano-N-(4-phenylbutyl)acetamide

Base Information

• Chemical Name: 2-cyano-N-(4-phenylbutyl)acetamide
• CAS No.: 133550-40-0
• Molecular Formula: C13H16N2O
• Molecular Weight: 216.283
• DSSTox Substance ID: DTXSID20401313
• Wikidata: Q82204394

Synonyms:2-cyano-N-(4-phenylbutyl)acetamide;133550-40-0;SCHEMBL874265;DTXSID20401313;AKOS003850186

Chemical Property of 2-cyano-N-(4-phenylbutyl)acetamide

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 216.126263138
• Heavy Atom Count: 16
• Complexity: 248

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-cyano-N-(4-phenylbutyl)acetamide

There total 2 articles about 2-cyano-N-(4-phenylbutyl)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: 69.0%

4-phenyl-1-butylamine (13214-66-9) + ethyl 2-cyanoacetate (105-56-6) → N-(4-phenylbutyl)cyanoacetamide (133550-40-0)

Guidance literature:

at 100 ℃; for 10h;

DOI:10.1021/jm990199u

Reference yield: 51.0%

4-phenyl-1-butylamine (13214-66-9) + methyl 2-cyanoacetate (105-34-0) → N-(4-phenylbutyl)cyanoacetamide (133550-40-0)

Guidance literature:

at 100 ℃; for 16h;

DOI:10.1021/jm00110a022

Reference yield: 86.0%

N-(4-phenylbutyl)cyanoacetamide (133550-40-0) → N-(4-phenylbutyl)-2-(1H-tetrazol-5-yl)acetamide

Guidance literature:

With sodium azide; triethylamine hydrochloride; In toluene; at 90 ℃; for 20h;

DOI:10.1055/s-0035-1562435

upstream raw materials:

4-phenyl-1-butylamine

methyl 2-cyanoacetate

ethyl 2-cyanoacetate

Downstream raw materials:

tyrphostin AG 556

C₂₀H₂₁N₃O

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