Heptanamide, N-(4-methylphenyl)-

Base Information

• Chemical Name: Heptanamide, N-(4-methylphenyl)-
• CAS No.: 20172-34-3
• Molecular Formula: C14H21NO
• Molecular Weight: 219.327
• DSSTox Substance ID: DTXSID00403875
• Nikkaji Number: J1.414.944I
• Mol file: 20172-34-3.mol

Synonyms:Heptanamide, N-(4-methylphenyl)-;20172-34-3;SCHEMBL2531377;DTXSID00403875;AKOS003872808

Chemical Property of Heptanamide, N-(4-methylphenyl)-

Chemical Property:

• PSA: 29.10000
• LogP: 3.97690
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 219.162314293
• Heavy Atom Count: 16
• Complexity: 195

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Heptanamide, N-(4-methylphenyl)-

There total 10 articles about Heptanamide, N-(4-methylphenyl)- 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: 95.0%

oenanthic acid (111-14-8) + p-toluidine (106-49-0,12221-03-3) → N-(4-methylphenyl)heptanamide (20172-34-3)

Guidance literature:

With aluminum oxide; In neat (no solvent); at 140 ℃; for 3h; Green chemistry;

DOI:10.1039/c2gc35880h

Reference yield: 93.0%

p-toluidine (106-49-0,12221-03-3) + 1H-1,2,3-benzotriazol-1-yl(n-hexyl)methanone (331672-95-8) → N-(4-methylphenyl)heptanamide (20172-34-3)

Guidance literature:

In chloroform; at 80 ℃; for 0.166667h; microwave irradiation;

DOI:10.1021/jo052443x

Reference yield:

heptanoic acid benzylamide (55917-07-2) + 4-Methylacetanilide (103-89-9) → N-(phenylmethyl)acetamide (588-46-5) + N-(4-methylphenyl)heptanamide (20172-34-3)

Guidance literature:

With N-acetyl-N-benzylacetamide; potassium hydride; In diethylene glycol dimethyl ether; at 120 ℃; for 18h;

DOI:10.1002/anie.200603588

upstream raw materials:

oenanthic acid

p-toluidine

Heptanoic acid chloride

1H-1,2,3-benzotriazol-1-yl(n-hexyl)methanone

Downstream raw materials:

heptanoic acid benzylamide

4-Methylacetanilide

heptanoic acid (4-fluoro-phenyl)-amide

heptananilide