1H-Azepine-1-acetamide, hexahydro-alpha-ethyl-N-(2,4,6-trimethylphenyl)-

Base Information

Chemical Name:1H-Azepine-1-acetamide, hexahydro-alpha-ethyl-N-(2,4,6-trimethylphenyl)-
CAS No.:118564-56-0
Molecular Formula:C₁₉H₃₀N₂O
Molecular Weight:302.46
Hs Code.:
DSSTox Substance ID:DTXSID80922711
Nikkaji Number:J419.049A
ChEMBL ID:CHEMBL1573758
Mol file:118564-56-0.mol

Synonyms:118564-56-0;BRN 4844498;1H-Azepine-1-acetamide, hexahydro-alpha-ethyl-N-(2,4,6-trimethylphenyl)-;2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide;alpha-Ethyl-N-(2,4,6-trimethylphenyl)-1H-hexahydroazepine-1-acetamide;Cambridge id 5110331;MLS001213153;2-Azepan-1-yl-N-(2,4,6-trimethyl-phenyl)-butyramide;CHEMBL1573758;DTXSID80922711;PIRAZAGTGLMJDK-UHFFFAOYSA-N;HMS2827O23;AKOS000507540;AKOS024355213;NCGC00245267-01;LS-22798;SMR000516361;GI-559782;AB00073919-01;2-(Azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanimidic acid;N-(2,4,6-Trimethylphenyl)-2-[(hexahydro-1H-azepin)-1-yl]butanamide

Suppliers and Price of 1H-Azepine-1-acetamide, hexahydro-alpha-ethyl-N-(2,4,6-trimethylphenyl)-

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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price

Total 1 raw suppliers

Chemical Property of 1H-Azepine-1-acetamide, hexahydro-alpha-ethyl-N-(2,4,6-trimethylphenyl)-

Chemical Property:

Vapor Pressure:1.35E-07mmHg at 25°C
Boiling Point:429.9°Cat760mmHg
Flash Point:213.8°C
PSA：35.83000
Density:1.029g/cm³
LogP:4.79230
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:302.235813585
Heavy Atom Count:22
Complexity:337

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(C(=O)NC1=C(C=C(C=C1C)C)C)N2CCCCCC2

Technology Process of 1H-Azepine-1-acetamide, hexahydro-alpha-ethyl-N-(2,4,6-trimethylphenyl)-

There total 2 articles about 1H-Azepine-1-acetamide, hexahydro-alpha-ethyl-N-(2,4,6-trimethylphenyl)- 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: 71.0%

: 111-49-9
hexamethylene imine

: 42276-56-2
2-bromo-butyric acid-(2,4,6-trimethyl-anilide)

: 118564-56-0
2-Azepan-1-yl-N-(2,4,6-trimethyl-phenyl)-butyramide

Guidance literature:: In xylene; for 10h; Heating;
DOI:10.1007/BF00766559

Reference yield:

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

: 118564-56-0
2-Azepan-1-yl-N-(2,4,6-trimethyl-phenyl)-butyramide

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / CH₂Cl₂ / 0.5 h / Heating

2: 71 percent / xylene / 10 h / Heating

In dichloromethane; xylene;
DOI:10.1007/BF00766559