6,11-Dihydro-N-(2,6-diisopropylphenyl)-2-trifluoromethyl-dibenz(b,e)oxepin-11-carboxamide

Base Information

Chemical Name:6,11-Dihydro-N-(2,6-diisopropylphenyl)-2-trifluoromethyl-dibenz(b,e)oxepin-11-carboxamide
CAS No.:144170-12-7
Molecular Formula:C₂₈H₂₈F₃NO₂
Molecular Weight:467.531
Hs Code.:
DSSTox Substance ID:DTXSID00932256
Nikkaji Number:J581.058B
ChEMBL ID:CHEMBL354290
Mol file:144170-12-7.mol

Synonyms:6,11-Dihydro-N-(2,6-diisopropylphenyl)-2-trifluoromethyl-dibenz(b,e)oxepin-11-carboxamide;CHEMBL354290;144170-12-7;Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-N-(2,6-bis(1-methylethyl)phenyl)-2-(trifluoromethyl)-;SCHEMBL8797861;C28H28F3NO2;DTXSID00932256;DICGWXUOYQBIMK-UHFFFAOYSA-N;BDBM50040833;C28-H28-F3-N-O2;LS-61606;6,11-Dihydro-N-(2,6-diisopropylphenyl)-2-(trifluoromethyl)dibenz[b,e]oxepin-11-carboxamide;2-Trifluoromethyl-6,11-dihydro-dibenzo[b,e]oxepine-11-carboxylic acid (2,6-diisopropyl-phenyl)-amide;N-[2,6-Di(propan-2-yl)phenyl]-2-(trifluoromethyl)-6,11-dihydrodibenzo[b,e]oxepine-11-carboximidic acid

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

Chemical Property:

Vapor Pressure:3.87E-12mmHg at 25°C
Boiling Point:549.8°Cat760mmHg
Flash Point:286.3°C
Density:1.207g/cm³
XLogP3:7.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:467.20721362
Heavy Atom Count:34
Complexity:678

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

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

There total 4 articles about 6,11-Dihydro-N-(2,6-diisopropylphenyl)-2-trifluoromethyl-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:

: 6,11-dihydro-2-trifluoromethyldibenz[b,e]oxepin-11-one

: 144170-12-7
6,11-Dihydro-N-(2,6-diisopropylphenyl)-2-trifluoromethyldibenz[b,e]oxepin-11-carboxamide

Guidance literature:: Multi-step reaction with 3 steps

1: ZnI₂ / CH₂Cl₂ / 72 h / Ambient temperature

2: 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:

: 144170-73-0
6,11-dihydro-2-trifluoromethyldibenz[b,e]oxepin-11-carboxylic acid

: 144170-12-7
6,11-Dihydro-N-(2,6-diisopropylphenyl)-2-trifluoromethyldibenz[b,e]oxepin-11-carboxamide

Guidance literature:

Reference yield:

: 1025813-24-4
2-Trifluoromethyl-11-trimethylsilanyloxy-6,11-dihydro-dibenzo[b,e]oxepine-11-carbonitrile

: 144170-12-7
6,11-Dihydro-N-(2,6-diisopropylphenyl)-2-trifluoromethyldibenz[b,e]oxepin-11-carboxamide

Guidance literature:: Multi-step reaction with 2 steps

1: 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