(2α,3β,4β,5aβ,7α,9aα)-(+/-)-7-bromo-2-(bromomethyl)decahydro-6,6,9a-trimethyl-4-(4-nitrobenzoyloxy)-1-benzoxepin-3-carboxylic acid

Base Information

Chemical Name:(2α,3β,4β,5aβ,7α,9aα)-(+/-)-7-bromo-2-(bromomethyl)decahydro-6,6,9a-trimethyl-4-(4-nitrobenzoyloxy)-1-benzoxepin-3-carboxylic acid
CAS No.:83220-46-6
Molecular Formula:C₂₂H₂₇Br₂NO₇
Molecular Weight:577.267
Hs Code.:

Synonyms:(2α,3β,4β,5aβ,7α,9aα)-(+/-)-7-bromo-2-(bromomethyl)decahydro-6,6,9a-trimethyl-4-(4-nitrobenzoyloxy)-1-benzoxepin-3-carboxylic acid

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Chemical Property of (2α,3β,4β,5aβ,7α,9aα)-(+/-)-7-bromo-2-(bromomethyl)decahydro-6,6,9a-trimethyl-4-(4-nitrobenzoyloxy)-1-benzoxepin-3-carboxylic acid

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Technology Process of (2α,3β,4β,5aβ,7α,9aα)-(+/-)-7-bromo-2-(bromomethyl)decahydro-6,6,9a-trimethyl-4-(4-nitrobenzoyloxy)-1-benzoxepin-3-carboxylic acid

There total 4 articles about (2α,3β,4β,5aβ,7α,9aα)-(+/-)-7-bromo-2-(bromomethyl)decahydro-6,6,9a-trimethyl-4-(4-nitrobenzoyloxy)-1-benzoxepin-3-carboxylic acid 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%

: 83220-45-5
(2α,3β,4β,5aβ,7α,9aα)-(+/-)-tert-butyl 7-bromo-2-(bromomethyl)decahydro-6,6,9a-trimethyl-4-(4-nitrobenzoyloxy)-1-benzoxepin-3-carboxylate

: 83220-46-6
(2α,3β,4β,5aβ,7α,9aα)-(+/-)-7-bromo-2-(bromomethyl)decahydro-6,6,9a-trimethyl-4-(4-nitrobenzoyloxy)-1-benzoxepin-3-carboxylic acid

Guidance literature:: With trifluoroacetic acid; In dichloromethane; for 2h; Ambient temperature;
DOI:10.1021/ja00388a038

Reference yield:

: 122-04-3
4-nitro-benzoyl chloride

: 83220-46-6
(2α,3β,4β,5aβ,7α,9aα)-(+/-)-7-bromo-2-(bromomethyl)decahydro-6,6,9a-trimethyl-4-(4-nitrobenzoyloxy)-1-benzoxepin-3-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 92 percent / 4-(dimethylamino)pyridine / CH₂Cl₂; pyridine / 0.5 h

2: 1.) Hg(TFA)2, KBr, 2.) pyHBr₃ / 1.) -23 deg C -> room temperature, 1 h, 2.) CH₂Cl₂, pyridine, 14 h

3: 93 percent / TFA / CH₂Cl₂ / 2 h / Ambient temperature

With dmap; mercury(II) trifluoroacetate; pyridinium hydrobromide perbromide; trifluoroacetic acid; potassium bromide; In pyridine; dichloromethane;
DOI:10.1021/ja00388a038

Reference yield:

: 83289-28-5
1R-<1α(αR^*,βS^*),2β,5α>-(+/-)-tert-butyl 5-bromo-α-ethenyl-β,2-dihydroxy-2,6,6-trimethylcyclohexanebutanoate

: 83220-46-6
(2α,3β,4β,5aβ,7α,9aα)-(+/-)-7-bromo-2-(bromomethyl)decahydro-6,6,9a-trimethyl-4-(4-nitrobenzoyloxy)-1-benzoxepin-3-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 92 percent / 4-(dimethylamino)pyridine / CH₂Cl₂; pyridine / 0.5 h

2: 1.) Hg(TFA)2, KBr, 2.) pyHBr₃ / 1.) -23 deg C -> room temperature, 1 h, 2.) CH₂Cl₂, pyridine, 14 h

3: 93 percent / TFA / CH₂Cl₂ / 2 h / Ambient temperature

With dmap; mercury(II) trifluoroacetate; pyridinium hydrobromide perbromide; trifluoroacetic acid; potassium bromide; In pyridine; dichloromethane;
DOI:10.1021/ja00388a038