3-(Allyloxy)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin

Base Information

Chemical Name:3-(Allyloxy)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin
CAS No.:85850-84-6
Molecular Formula:C₂₆H₂₄OS
Molecular Weight:384.542
Hs Code.:
UNII:JKU6634BLC
ChEMBL ID:CHEMBL14527

Synonyms:BRN 5621991;JKU6634BLC;3-(Allyloxy)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin;6H-DIBENZO(b,f)THIOCIN, 3-(ALLYLOXY)-11-ETHYL-12-PHENYL-;85850-84-6;UNII-JKU6634BLC;CHEMBL14527;C26H24OS;C26-H24-O-S;LS-61501;6H-DIBENZO(B,F)THIOCIN, 11-ETHYL-12-PHENYL-3-(2-PROPEN-1-YLOXY)-

Suppliers and Price of 3-(Allyloxy)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 3-(Allyloxy)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin

Chemical Property:

Vapor Pressure:6.26E-11mmHg at 25°C
Boiling Point:533.7°C at 760 mmHg
Flash Point:276.6°C
Density:1.117g/cm³
XLogP3:6.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:384.15478656
Heavy Atom Count:28
Complexity:547

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1=C(C2=C(C=C(C=C2)OCC=C)SCC3=CC=CC=C31)C4=CC=CC=C4
Isomeric SMILES:CC/C/1=C(/C2=C(C=C(C=C2)OCC=C)SCC3=CC=CC=C31)\C4=CC=CC=C4

Technology Process of 3-(Allyloxy)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin

There total 11 articles about 3-(Allyloxy)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin 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:

: 3-Allyloxy-11-ethyl-12-phenyl-11,12-dihydro-6H-5-thia-dibenzo[a,e]cycloocten-12-ol

: 85850-84-6
(Z)-3-Allyloxy-11-ethyl-12-phenyl-6H-5-thia-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

: 85850-84-6
(Z)-3-Allyloxy-11-ethyl-12-phenyl-6H-5-thia-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:

: 49619-05-8
2-<<(3-methoxyphenyl)thio>methyl>benzoic acid

: 85850-84-6
(Z)-3-Allyloxy-11-ethyl-12-phenyl-6H-5-thia-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: polyphosphoric acid / toluene / 4 h / Heating

6: 45 percent / sodium, liq. NH₃, ferric nitrate / tetrahydrofuran / 1 h / -30 °C

7: 79 percent / pyridine hydrochloride / 0.5 h / 210 °C

8: 1.) NaH / 1.) DMF, oil, 15 min, 2.) DMF, 30 min

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; PPA; ammonia; pyridine hydrochloride; sodium; sodium hydride; ferric nitrate; In tetrahydrofuran; diethyl ether; ethanol; water; toluene;
DOI:10.1021/jm00362a009