DIBENZO(a,e)CYCLOOCTENE, 5,6-DIHYDRO-3-(ALLYLOXY)-11-ETHYL-12-PHENYL-

Base Information

Chemical Name:DIBENZO(a,e)CYCLOOCTENE, 5,6-DIHYDRO-3-(ALLYLOXY)-11-ETHYL-12-PHENYL-
CAS No.:85850-83-5
Molecular Formula:C₂₇H₂₆O
Molecular Weight:366.503
Hs Code.:2909309090
UNII:1U65U3847M
Nikkaji Number:J74.759I
ChEMBL ID:CHEMBL14574
Mol file:85850-83-5.mol

Synonyms:BRN 5614669;85850-83-5;DIBENZO(a,e)CYCLOOCTENE, 5,6-DIHYDRO-3-(ALLYLOXY)-11-ETHYL-12-PHENYL-;1U65U3847M;3-(Allyloxy)-11-ethyl-12-phenyl-5,6-dihydrodibenzo(a,e)cyclooctene;5,6-Dihydro-3-(allyloxy)-11-ethyl-12-phenyl dibenzo(a,E)cyclooctene;CHEMBL14574;UNII-1U65U3847M;C27H26O;5,6-Dihydro-3-allyloxy-11-ethyl-12-phenyldibenzo[a,e]cyclooctene;C27-H26-O;LS-60859;DIBENZO(A,E)CYCLOOCTENE, 6-ETHYL-11,12-DIHYDRO-5-PHENYL-2-(2-PROPEN-1-YLOXY)-

Suppliers and Price of DIBENZO(a,e)CYCLOOCTENE, 5,6-DIHYDRO-3-(ALLYLOXY)-11-ETHYL-12-PHENYL-

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
Packaging
price

Total 3 raw suppliers

Chemical Property of DIBENZO(a,e)CYCLOOCTENE, 5,6-DIHYDRO-3-(ALLYLOXY)-11-ETHYL-12-PHENYL-

Chemical Property:

Vapor Pressure:6.75E-10mmHg at 25°C
Melting Point:85-86 °C(Solv: ethanol (64-17-5))
Boiling Point:506.9°Cat760mmHg
Flash Point:210.2°C
PSA：9.23000
Density:1.063g/cm³
LogP:6.71910
XLogP3:6.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:366.198365449
Heavy Atom Count:28
Complexity:541

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1=C(C2=C(CCC3=CC=CC=C31)C=C(C=C2)OCC=C)C4=CC=CC=C4
Isomeric SMILES:CC/C/1=C(/C2=C(CCC3=CC=CC=C31)C=C(C=C2)OCC=C)\C4=CC=CC=C4

Technology Process of DIBENZO(a,e)CYCLOOCTENE, 5,6-DIHYDRO-3-(ALLYLOXY)-11-ETHYL-12-PHENYL-

There total 11 articles about DIBENZO(a,e)CYCLOOCTENE, 5,6-DIHYDRO-3-(ALLYLOXY)-11-ETHYL-12-PHENYL- 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-Allyloxy-6-ethyl-5-phenyl-5,6,11,12-tetrahydro-dibenzo[a,e]cycloocten-5-ol

: 85850-83-5
(Z)-3-Allyloxy-11-ethyl-12-phenyl-5,6-dihydro-dibenzo[a,e]cyclooctene

Guidance literature:: With hydrogenchloride; In ethanol; for 1h; Yield given; Heating;
DOI:10.1021/jm00362a009

Reference yield:

: 108-86-1,52753-63-6
bromobenzene

: 85850-83-5
(Z)-3-Allyloxy-11-ethyl-12-phenyl-5,6-dihydro-dibenzo[a,e]cyclooctene

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) BuLi / 1.) THF, -70 deg C, 1 h, 2.) THF, RT, 18 h

2: conc. HCl / ethanol / 1 h / Heating

With hydrogenchloride; n-butyllithium; In ethanol;
DOI:10.1021/jm00362a009

Reference yield:

: 17910-71-3
2-<2-(3-methoxyphenyl)ethyl>benzoic acid

: 85850-83-5
(Z)-3-Allyloxy-11-ethyl-12-phenyl-5,6-dihydro-dibenzo[a,e]cyclooctene

Guidance literature:: Multi-step reaction with 10 steps

1: LiAlH₄ / diethyl ether; tetrahydrofuran / 4 h / Heating

2: thionyl chloride / toluene / 1 h / 80 °C

3: ethanol; H₂O / 12 h / Heating

4: aq. KOH / ethanol / 3 h / Heating

5: 1.) LDA / 1.) hexane, THF, -70 deg C, 1.5 h, 2.) hexane, THF, from -70 deg C to RT

6: 55 percent / P₂O₅, MeSO₃H / 1 h / Ambient temperature

7: 90 percent / pyridine hydrochloride / 0.5 h / 210 °C

8: 93 percent / K₂CO₃ / acetone / 3 h / Heating

9: 1.) BuLi / 1.) THF, -70 deg C, 1 h, 2.) THF, RT, 18 h

10: conc. HCl / ethanol / 1 h / Heating

With hydrogenchloride; potassium hydroxide; lithium aluminium tetrahydride; n-butyllithium; thionyl chloride; methanesulfonic acid; pyridine hydrochloride; phosphorus pentoxide; potassium carbonate; lithium diisopropyl amide; In tetrahydrofuran; diethyl ether; ethanol; water; acetone; toluene;
DOI:10.1021/jm00362a009