(3aα,4aβ,7β,8aα,10aβ)-(+/-)-7-bromodecahydro-4a,8,8-trimethyl-10a(phenylthio)furo<3,4-b><1>benzoxepin-1(3H)-one

Base Information

Chemical Name:(3aα,4aβ,7β,8aα,10aβ)-(+/-)-7-bromodecahydro-4a,8,8-trimethyl-10a(phenylthio)furo<3,4-b><1>benzoxepin-1(3H)-one
CAS No.:81844-70-4
Molecular Formula:C₂₁H₂₇BrO₃S
Molecular Weight:439.414
Hs Code.:

Synonyms:(3aα,4aβ,7β,8aα,10aβ)-(+/-)-7-bromodecahydro-4a,8,8-trimethyl-10a(phenylthio)furo<3,4-b><1>benzoxepin-1(3H)-one

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Chemical Property of (3aα,4aβ,7β,8aα,10aβ)-(+/-)-7-bromodecahydro-4a,8,8-trimethyl-10a(phenylthio)furo<3,4-b><1>benzoxepin-1(3H)-one

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Technology Process of (3aα,4aβ,7β,8aα,10aβ)-(+/-)-7-bromodecahydro-4a,8,8-trimethyl-10a(phenylthio)furo<3,4-b><1>benzoxepin-1(3H)-one

There total 14 articles about (3aα,4aβ,7β,8aα,10aβ)-(+/-)-7-bromodecahydro-4a,8,8-trimethyl-10a(phenylthio)furo<3,4-b><1>benzoxepin-1(3H)-one 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: 31.0%

: 71841-12-8
(2α,3α,5aβ,7α,9aα)-(+/-)-methyl 7-bromodecahydro-6,6,9a-trimethyl-2-<(phenylmethoxy)methyl>-3-(phenylthio)-1-benzoxepin-3-carboxylate

: 81844-70-4
(3aα,4aβ,7β,8aα,10aβ)-(+/-)-7-bromodecahydro-4a,8,8-trimethyl-10a(phenylthio)furo<3,4-b><1>benzoxepin-1(3H)-one

Guidance literature:: With trityl tetrafluoroborate; In chloroform-d1; for 16h; Ambient temperature;
DOI:10.1021/ja00388a038

Reference yield:

: 25644-70-6
methyl 6,10-dimethylundeca-5,9-dienoate

: 81844-70-4
(3aα,4aβ,7β,8aα,10aβ)-(+/-)-7-bromodecahydro-4a,8,8-trimethyl-10a(phenylthio)furo<3,4-b><1>benzoxepin-1(3H)-one

Guidance literature:: Multi-step reaction with 6 steps

1: 1.) LDA / tetrahydrofuran; hexane / 1.) -78 deg C, 0.5 h, 2.) room temperature, 0.5 h

2: 52 percent / triethylamine / tetrahydrofuran / 18 h

3: 61 percent / 1,5-diazabicyclo<5.4.0>undec-5-ene / benzene / 12 h

4: 83 percent / 1.) triethylamine / CH₂Cl₂ / 5 h / Ambient temperature

5: 79 percent / sodium borohydride / propan-2-ol / 5 h / 0 °C

With sodium tetrahydroborate; triethylamine; 1,5-Diazabicyclo[5.4.0]undec-5-ene; lithium diisopropyl amide; In tetrahydrofuran; hexane; dichloromethane; isopropyl alcohol; benzene;
DOI:10.1021/ja00378a023

Reference yield:

: 71841-08-2
homogeraniol p-toluenesulfonate ester

: 81844-70-4
(3aα,4aβ,7β,8aα,10aβ)-(+/-)-7-bromodecahydro-4a,8,8-trimethyl-10a(phenylthio)furo<3,4-b><1>benzoxepin-1(3H)-one

Guidance literature:: Multi-step reaction with 3 steps

1: 64 percent / dimethylsulfoxide / Ambient temperature

2: 1.) LDA, ZnCl₂, 2.) Hg(TFA)2, KBr, Br₂, O₂, LiBr / 1.) THF, 0 deg C, 2.) CH₃NO₂, H₂O, pyridine, room temperature, 3 h

3: 31 percent / triphenylcarbenium tetrafluoroborate / CDCl₃ / 16 h / Ambient temperature

With bromine; oxygen; mercury(II) trifluoroacetate; trityl tetrafluoroborate; potassium bromide; lithium bromide; zinc(II) chloride; lithium diisopropyl amide; In chloroform-d1; dimethyl sulfoxide;
DOI:10.1021/ja00388a038