(2α,5aβ,7α,9aα)-(+/-)-methyl 7-bromo-2,5,5a,6,7,8,9,9a-octahydro-6,6,9a-trimethyl-2-<(phenylmethoxy)methyl>-1-benzoxepin-3-carboxylate

Base Information

Chemical Name:(2α,5aβ,7α,9aα)-(+/-)-methyl 7-bromo-2,5,5a,6,7,8,9,9a-octahydro-6,6,9a-trimethyl-2-<(phenylmethoxy)methyl>-1-benzoxepin-3-carboxylate
CAS No.:71841-15-1
Molecular Formula:C₂₃H₃₁BrO₄
Molecular Weight:451.401
Hs Code.:

Synonyms:(2α,5aβ,7α,9aα)-(+/-)-methyl 7-bromo-2,5,5a,6,7,8,9,9a-octahydro-6,6,9a-trimethyl-2-<(phenylmethoxy)methyl>-1-benzoxepin-3-carboxylate

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Chemical Property of (2α,5aβ,7α,9aα)-(+/-)-methyl 7-bromo-2,5,5a,6,7,8,9,9a-octahydro-6,6,9a-trimethyl-2-<(phenylmethoxy)methyl>-1-benzoxepin-3-carboxylate

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Technology Process of (2α,5aβ,7α,9aα)-(+/-)-methyl 7-bromo-2,5,5a,6,7,8,9,9a-octahydro-6,6,9a-trimethyl-2-<(phenylmethoxy)methyl>-1-benzoxepin-3-carboxylate

There total 4 articles about (2α,5aβ,7α,9aα)-(+/-)-methyl 7-bromo-2,5,5a,6,7,8,9,9a-octahydro-6,6,9a-trimethyl-2-<(phenylmethoxy)methyl>-1-benzoxepin-3-carboxylate 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: 65.0%

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

: 71885-18-2
(2α,3β,5aβ,7α,9aα)-(+/-)-methyl 7-bromodecahydro-6,6,9a-trimethyl-2-<(phenylmethoxy)methyl>-3-(phenylthio)-1-benzoxepin-3-carboxylate

: 71841-15-1
(2α,5aβ,7α,9aα)-(+/-)-methyl 7-bromo-2,5,5a,6,7,8,9,9a-octahydro-6,6,9a-trimethyl-2-<(phenylmethoxy)methyl>-1-benzoxepin-3-carboxylate

Guidance literature:: With 3-chloro-benzenecarboperoxoic acid; In chloroform-d1; room temperature -> 60 deg C, 15 min;
DOI:10.1021/ja00388a038

Reference yield:

: 60656-87-3
benzyloxyacetoaldehyde

: 71841-15-1
(2α,5aβ,7α,9aα)-(+/-)-methyl 7-bromo-2,5,5a,6,7,8,9,9a-octahydro-6,6,9a-trimethyl-2-<(phenylmethoxy)methyl>-1-benzoxepin-3-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

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

2: 65 percent / MCPBA / CDCl₃ / room temperature -> 60 deg C, 15 min

With bromine; oxygen; mercury(II) trifluoroacetate; 3-chloro-benzenecarboperoxoic acid; potassium bromide; lithium bromide; zinc(II) chloride; lithium diisopropyl amide; In chloroform-d1;
DOI:10.1021/ja00388a038

Reference yield:

: 71841-08-2
homogeraniol p-toluenesulfonate ester

: 71841-15-1
(2α,5aβ,7α,9aα)-(+/-)-methyl 7-bromo-2,5,5a,6,7,8,9,9a-octahydro-6,6,9a-trimethyl-2-<(phenylmethoxy)methyl>-1-benzoxepin-3-carboxylate

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: 65 percent / MCPBA / CDCl₃ / room temperature -> 60 deg C, 15 min

With bromine; oxygen; mercury(II) trifluoroacetate; 3-chloro-benzenecarboperoxoic acid; potassium bromide; lithium bromide; zinc(II) chloride; lithium diisopropyl amide; In chloroform-d1; dimethyl sulfoxide;
DOI:10.1021/ja00388a038