2-Chloro-6,11-dihydro-N-(2,6-diisopropylphenyl)dibenz(b,e)oxepin-11-carboxamide

Base Information

Chemical Name:2-Chloro-6,11-dihydro-N-(2,6-diisopropylphenyl)dibenz(b,e)oxepin-11-carboxamide
CAS No.:144170-09-2
Molecular Formula:C₂₇H₂₈ClNO₂
Molecular Weight:433.978
Hs Code.:
DSSTox Substance ID:DTXSID80932254
Nikkaji Number:J581.055H
ChEMBL ID:CHEMBL354494
Mol file:144170-09-2.mol

Synonyms:2-Chloro-6,11-dihydro-N-(2,6-diisopropylphenyl)dibenz(b,e)oxepin-11-carboxamide;CHEMBL354494;Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-N-(2,6-bis(1-methylethyl)phenyl)-2-chloro-;N-(2,6-Bis(1-methylethyl)phenyl)-2-chloro-6,11-dihydro-ibenz(b,e)oxepin-11-carboxamide;144170-09-2;SCHEMBL8797541;DTXSID80932254;BDBM50040818;LS-61602;6,11-Dihydro-N-(2,6-diisopropylphenyl)-2-chlorodibenz[b,e]oxepin-11-carboxamide;2-Chloro-6,11-dihydro-dibenzo[b,e]oxepine-11-carboxylic acid (2,6-diisopropyl-phenyl)-amide;2-Chloro-N-[2,6-di(propan-2-yl)phenyl]-6,11-dihydrodibenzo[b,e]oxepine-11-carboximidic acid

Suppliers and Price of 2-Chloro-6,11-dihydro-N-(2,6-diisopropylphenyl)dibenz(b,e)oxepin-11-carboxamide

Supply Marketing:

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

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Chemical Property of 2-Chloro-6,11-dihydro-N-(2,6-diisopropylphenyl)dibenz(b,e)oxepin-11-carboxamide

Chemical Property:

Vapor Pressure:3.39E-13mmHg at 25°C
Boiling Point:574.3°Cat760mmHg
Flash Point:301.1°C
Density:1.187g/cm³
XLogP3:6.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:433.1808568
Heavy Atom Count:31
Complexity:592

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 2-Chloro-6,11-dihydro-N-(2,6-diisopropylphenyl)dibenz(b,e)oxepin-11-carboxamide

There total 5 articles about 2-Chloro-6,11-dihydro-N-(2,6-diisopropylphenyl)dibenz(b,e)oxepin-11-carboxamide 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:

: 23560-69-2
2-chlorodibenzo[b,e]oxepin-11(6H)-one

: 144170-09-2
2-Chloro-6,11-dihydro-N-(2,6-diisopropylphenyl)dibenz[b,e]-oxepin-11-carboxamide

Guidance literature:: Multi-step reaction with 4 steps

1: NaH / dimethylsulfoxide; tetrahydrofuran / 10 h / Ambient temperature

2: BF₃*Et₂O / CH₂Cl₂ / 5 h

3: KMnO₄ / acetone; 2-methyl-propan-2-ol / 1.5 h / pH 6.86

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

With potassium permanganate; thionyl chloride; boron trifluoride diethyl etherate; sodium hydride; triethylamine; In tetrahydrofuran; dichloromethane; dimethyl sulfoxide; acetone; tert-butyl alcohol;
DOI:10.1021/jm00032a014

Reference yield:

: 154775-87-8
2-Chloro-6,11-dihydro-dibenzo[b,e]oxepine-11-carbaldehyde

: 144170-09-2
2-Chloro-6,11-dihydro-N-(2,6-diisopropylphenyl)dibenz[b,e]-oxepin-11-carboxamide

Guidance literature:: Multi-step reaction with 2 steps

1: KMnO₄ / acetone; 2-methyl-propan-2-ol / 1.5 h / pH 6.86

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

With potassium permanganate; thionyl chloride; triethylamine; In acetone; tert-butyl alcohol;
DOI:10.1021/jm00032a014

Reference yield:

: 105345-48-0
C₁₅H₁₁ClO₂

: 144170-09-2
2-Chloro-6,11-dihydro-N-(2,6-diisopropylphenyl)dibenz[b,e]-oxepin-11-carboxamide

Guidance literature:: Multi-step reaction with 3 steps

1: BF₃*Et₂O / CH₂Cl₂ / 5 h

2: KMnO₄ / acetone; 2-methyl-propan-2-ol / 1.5 h / pH 6.86

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

With potassium permanganate; thionyl chloride; boron trifluoride diethyl etherate; triethylamine; In dichloromethane; acetone; tert-butyl alcohol;
DOI:10.1021/jm00032a014