Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-N-(2,6-diethylphenyl)-2-methyl-

Base Information

• Chemical Name: Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-N-(2,6-diethylphenyl)-2-methyl-
• CAS No.: 144169-95-9
• Molecular Formula: C₂₆H₂₇NO₂
• Molecular Weight: 385.506
• DSSTox Substance ID: DTXSID40932250
• Nikkaji Number: J581.046I
• ChEMBL ID: CHEMBL353660
• Mol file: 144169-95-9.mol

Synonyms:N-(2,6-Diethylphenyl)-2-methyl-6,11-dihydro-ibenz(b,e)oxepin-11-carboxamide;CHEMBL353660;Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-N-(2,6-diethylphenyl)-2-methyl-;144169-95-9;SCHEMBL8797849;DTXSID40932250;GTWIRNCSQWSZJZ-UHFFFAOYSA-N;BDBM50040838;LS-61609;2-Methyl-6,11-dihydro-dibenzo[b,e]oxepine-11-carboxylic acid (2,6-diethyl-phenyl)-amide;6,11-Dihydro-N-(2,6-diethylphenyl)-2-methyldibenz[b,e]oxepin-11-carboxamide;N-(2,6-Diethylphenyl)-2-methyl-6,11-dihydrodibenzo[b,e]oxepine-11-carboximidic acid;N-(2,6-Diethylphenyl)-6,11-dihydro-2-methyldibenz[b,e]-oxepin-11-carboxamide

Chemical Property of Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-N-(2,6-diethylphenyl)-2-methyl-

Chemical Property:

• Vapor Pressure: 5.76E-13mmHg at 25°C
• Boiling Point: 569.1°Cat760mmHg
• Flash Point: 298°C
• Density: 1.149g/cm³
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 385.204179104
• Heavy Atom Count: 29
• Complexity: 537

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)C2C3=CC=CC=C3COC4=C2C=C(C=C4)C

Technology Process of Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-N-(2,6-diethylphenyl)-2-methyl-

There total 3 articles about Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-N-(2,6-diethylphenyl)-2-methyl- 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:

2,6-diethylaniline (579-66-8) + 2-methyl-6,11-dihydrodibenzoxepin-11-carboxylic acid (144170-61-6) → N-(2,6-Diethylphenyl)-6,11-dihydro-2-methyldibenz[b,e]-oxepin-11-carboxamide (144169-95-9)

Guidance literature:

With thionyl chloride; triethylamine; Multistep reaction; 1.) CH₂Cl₂, 2.) CH₂Cl₂;

DOI:10.1021/jm00032a014

Reference yield:

2-methyl-6,11-dihydrodibenzoxepin-11-one (23560-66-9) → N-(2,6-Diethylphenyl)-6,11-dihydro-2-methyldibenz[b,e]-oxepin-11-carboxamide (144169-95-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 12.1 g / ZnI₂ / CH₂Cl₂ / 72 h / Ambient temperature

2: 55 percent / SnCl₂, HCl-AcOH / 5 h / Heating

3: 1.) SOCl₂, 2.) NEt₃ / 1.) CH₂Cl₂, 2.) CH₂Cl₂

With hydrogenchloride; thionyl chloride; acetic acid; triethylamine; tin(ll) chloride; zinc(II) iodide; In dichloromethane;

DOI:10.1021/jm00032a014

Reference yield:

2-methyl-11-<(trimethylsilyl)oxy>-6,11-dihydrodibenzoxepin-11-carbonitrile (154775-92-5) → N-(2,6-Diethylphenyl)-6,11-dihydro-2-methyldibenz[b,e]-oxepin-11-carboxamide (144169-95-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 55 percent / SnCl₂, HCl-AcOH / 5 h / Heating

2: 1.) SOCl₂, 2.) NEt₃ / 1.) CH₂Cl₂, 2.) CH₂Cl₂

With hydrogenchloride; thionyl chloride; acetic acid; triethylamine; tin(ll) chloride;

DOI:10.1021/jm00032a014

upstream raw materials:

2,6-diethylaniline

2-methyl-6,11-dihydrodibenzoxepin-11-carboxylic acid

2-methyl-6,11-dihydrodibenzoxepin-11-one

2-methyl-11-<(trimethylsilyl)oxy>-6,11-dihydrodibenzoxepin-11-carbonitrile