Benzo(6,7)cyclohept(1,2-b)-1,4-oxazine, 2,3,4,4a,5,6,7,11b-octahydro-4-benzoyl-, trans-

Base Information

Chemical Name:Benzo(6,7)cyclohept(1,2-b)-1,4-oxazine, 2,3,4,4a,5,6,7,11b-octahydro-4-benzoyl-, trans-
CAS No.:105124-64-9
Molecular Formula:C₂₀H₂₁NO₂
Molecular Weight:307.392
Hs Code.:
DSSTox Substance ID:DTXSID60146973
Wikidata:Q76156335

Synonyms:Benzo(6,7)cyclohept(1,2-b)-1,4-oxazine, 2,3,4,4a,5,6,7,11b-octahydro-4-benzoyl-, trans-;trans-2,3,4,4a,5,6,7,11b-Octahydro-4-benzoylbenzo(6,7)cyclohept(1,2-b)-1,4-oxazine;105124-64-9;DTXSID60146973;LS-33941

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Supply Marketing:

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

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Chemical Property of Benzo(6,7)cyclohept(1,2-b)-1,4-oxazine, 2,3,4,4a,5,6,7,11b-octahydro-4-benzoyl-, trans-

Chemical Property:

Vapor Pressure:7.7E-10mmHg at 25°C
Boiling Point:492.4°Cat760mmHg
Flash Point:251.6°C
Density:1.159g/cm³
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:307.157228913
Heavy Atom Count:23
Complexity:418

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC2C(C3=CC=CC=C3C1)OCCN2C(=O)C4=CC=CC=C4
Isomeric SMILES:C1C[C@H]2[C@H](C3=CC=CC=C3C1)OCCN2C(=O)C4=CC=CC=C4

Technology Process of Benzo(6,7)cyclohept(1,2-b)-1,4-oxazine, 2,3,4,4a,5,6,7,11b-octahydro-4-benzoyl-, trans-

There total 3 articles about Benzo(6,7)cyclohept(1,2-b)-1,4-oxazine, 2,3,4,4a,5,6,7,11b-octahydro-4-benzoyl-, trans- 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: 93.0%

: 98-88-4
benzoyl chloride

: (4aS,11bS)-2,3,4,4a,5,6,7,11b-Octahydro-1-oxa-4-aza-dibenzo[a,c]cycloheptene; hydrochloride

: 105124-64-9
(4aS,11bS)-2,3,5,6,7,11b-Hexahydro-4aH-1-oxa-4-aza-dibenzo[a,c]cyclohepten-4-yl-phenyl-methanone

Guidance literature:: With triethylamine; Ambient temperature;

Reference yield:

: 23445-21-8
trans-6-ammino-benzocicloeptan-5-olo

: 105124-64-9
(4aS,11bS)-2,3,5,6,7,11b-Hexahydro-4aH-1-oxa-4-aza-dibenzo[a,c]cyclohepten-4-yl-phenyl-methanone

Guidance literature:: Multi-step reaction with 3 steps

1: 59 percent / NaH / benzene / 1.) 5 deg C, 1 h, 2.) 1 h, room temp., 3.) 1.5 h, reflux

2: 64 percent / 1.) LiAlH₄, 2.) HCl / tetrahydrofuran / Heating

3: 93 percent / triethylamine / Ambient temperature

With hydrogenchloride; lithium aluminium tetrahydride; sodium hydride; triethylamine; In tetrahydrofuran; benzene;

Reference yield:

: (4aS,11bS)-4,4a,5,6,7,11b-Hexahydro-1-oxa-4-aza-dibenzo[a,c]cyclohepten-3-one

: 105124-64-9
(4aS,11bS)-2,3,5,6,7,11b-Hexahydro-4aH-1-oxa-4-aza-dibenzo[a,c]cyclohepten-4-yl-phenyl-methanone

Guidance literature:: Multi-step reaction with 2 steps

1: 64 percent / 1.) LiAlH₄, 2.) HCl / tetrahydrofuran / Heating

2: 93 percent / triethylamine / Ambient temperature

With hydrogenchloride; lithium aluminium tetrahydride; triethylamine; In tetrahydrofuran;