2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanamide

Base Information

Chemical Name:2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CAS No.:118564-52-6
Molecular Formula:C₁₈H₂₈N₂O
Molecular Weight:288.433
Hs Code.:
DSSTox Substance ID:DTXSID90922707
Nikkaji Number:J419.046G
ChEMBL ID:CHEMBL1616552

Synonyms:118564-52-6;BRN 4844342;alpha-Methyl-N-(2,4,6-trimethylphenyl)-1H-hexahydroazepine-1-acetamide;1H-Azepine-1-acetamide, hexahydro-alpha-methyl-N-(2,4,6-trimethylphenyl)-;2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanamide;CBDivE_004079;CHEMBL1616552;DTXSID90922707;STK370995;WAY-296945-A;2-(1-Azepanyl)-N-mesitylpropanamide;AKOS000507532;AKOS022071346;NCGC00245266-01;LS-22800;AB00073920-01;2-(Azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanimidic acid;N-(2,4,6-Trimethylphenyl)-2-[(hexahydro-1H-azepin)-1-yl]propanamide

Suppliers and Price of 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanamide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 0 raw suppliers

Chemical Property of 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanamide

Chemical Property:

Vapor Pressure:3.79E-07mmHg at 25°C
Boiling Point:416.6°Cat760mmHg
Flash Point:205.7°C
PSA：35.83000
Density:1.04g/cm³
LogP:4.40220
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:288.220163521
Heavy Atom Count:21
Complexity:324

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(C(=C1)C)NC(=O)C(C)N2CCCCCC2)C

Technology Process of 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanamide

There total 2 articles about 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanamide 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: 80.0%

: 111-49-9
hexamethylene imine

: 104509-24-2
2-bromo-propionic acid-(2,4,6-trimethyl-anilide)

: 118564-52-6
2-Azepan-1-yl-N-(2,4,6-trimethyl-phenyl)-propionamide

Guidance literature:: In toluene; for 12h; Heating;
DOI:10.1007/BF00766559

Reference yield:

: 88-05-1
2,4,6-trimethylaniline

: 118564-52-6
2-Azepan-1-yl-N-(2,4,6-trimethyl-phenyl)-propionamide

Guidance literature:: Multi-step reaction with 2 steps

1: 85 percent / CH₂Cl₂ / 0.5 h / Heating

2: 80 percent / toluene / 12 h / Heating

In dichloromethane; toluene;
DOI:10.1007/BF00766559