<3aS-(3aα,9aα,9bβ)>-3,3a,4,5,8,9,9a,9b-Octahydro-9a,9b-dimethyl-6-<(phenylthio)methyl>-1H-benzindene-1,7(2H)-dione

Base Information

Chemical Name:<3aS-(3aα,9aα,9bβ)>-3,3a,4,5,8,9,9a,9b-Octahydro-9a,9b-dimethyl-6-<(phenylthio)methyl>-1H-benzindene-1,7(2H)-dione
CAS No.:119755-27-0
Molecular Formula:C₂₂H₂₆O₂S
Molecular Weight:354.513
Hs Code.:

<3aS-(3aα,9aα,9bβ)>-3,3a,4,5,8,9,9a,9b-Octahydro-9a,9b-dimethyl-6-<(phenylthio)methyl>-1H-benz<e>indene-1,7(2H)-dione

Synonyms:<3aS-(3aα,9aα,9bβ)>-3,3a,4,5,8,9,9a,9b-Octahydro-9a,9b-dimethyl-6-<(phenylthio)methyl>-1H-benzindene-1,7(2H)-dione

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Chemical Property of <3aS-(3aα,9aα,9bβ)>-3,3a,4,5,8,9,9a,9b-Octahydro-9a,9b-dimethyl-6-<(phenylthio)methyl>-1H-benzindene-1,7(2H)-dione

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Technology Process of <3aS-(3aα,9aα,9bβ)>-3,3a,4,5,8,9,9a,9b-Octahydro-9a,9b-dimethyl-6-<(phenylthio)methyl>-1H-benzindene-1,7(2H)-dione

There total 21 articles about <3aS-(3aα,9aα,9bβ)>-3,3a,4,5,8,9,9a,9b-Octahydro-9a,9b-dimethyl-6-<(phenylthio)methyl>-1H-benzindene-1,7(2H)-dione 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: 82.0%

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 119755-35-0
<3aS-(3aα,9aα,9bβ)>-3,3a,4,5,8,9,9a,9b-Octahydro-9a,9b-dimethyl-1H-benzindene-1,7(2H)-dione

: 108-98-5
thiophenol

: 119755-27-0
<3aS-(3aα,9aα,9bβ)>-3,3a,4,5,8,9,9a,9b-Octahydro-9a,9b-dimethyl-6-<(phenylthio)methyl>-1H-benzindene-1,7(2H)-dione

Guidance literature:: With triethylamine; In ethanol; at 60 ℃; for 24h;
DOI:10.1021/ja00197a039

Reference yield:

: 33878-99-8
(S)-8a-methyl-3,4,8,8a-tetrahydro-2H,7H-naphthalene-1,6-dione

: 119755-27-0
<3aS-(3aα,9aα,9bβ)>-3,3a,4,5,8,9,9a,9b-Octahydro-9a,9b-dimethyl-6-<(phenylthio)methyl>-1H-benzindene-1,7(2H)-dione

Guidance literature:: Multi-step reaction with 16 steps

1: collidinium p-toluenesulfonate / benzene / Heating; 1.) 20 h; 2.) several days

2: p-toluenesulfonic acid / benzene / 24 h / Heating

3: ethanol / 1.5 h / Ambient temperature

4: 82 percent / NaH / benzene / 0.5 h / 65 °C

5: 2.) triethylamine / 1.) benzene, toluene, 0 deg C, 30 min; 2.) room temp., 1 h

6: 1.) O₃; 2.) NaBH₄ / 1.) CH₂Cl₂, MeOH, -78 deg C; 2.) -78 deg C, 3 h

7: 78 percent / p-toluenesulfonic acid / CH₂Cl₂ / 0.5 h / 0 °C

8: 40 percent / LiAlH₄ / diethyl ether / 3.5 h / Heating

9: 1.) hydrazine monohydrate; 3.) KOH / 1.) triethylene glycol, 120 deg C, 2 h; 2.) 180 deg C, 3-4 h

10: 83 percent / aq. HCl / tetrahydrofuran / 7 h / Ambient temperature

11: 85 percent / 1.) oxalyl chloride, DMSO; 2.) triethylamin / CH₂Cl₂ / 1.) -65 deg C, 30 min; 2.) -65 deg C to room temp.

12: 95 percent / 2-methyl-2-butene, NaClO₂, NaH₂PO₄ / 2-methyl-propan-2-ol; H₂O / 0.25 h / Ambient temperature

14: benzene / 0.5 h / 65 °C

15: 83 percent / 70percent aq. HClO₄ / CH₂Cl₂ / 0.25 h / 0 °C

16: 82 percent / triethylamine / ethanol / 24 h / 60 °C

With hydrogenchloride; potassium hydroxide; sodium chlorite; sodium tetrahydroborate; sodium dihydrogenphosphate; lithium aluminium tetrahydride; perchloric acid; 2-methyl-but-2-ene; oxalyl dichloride; sodium hydride; toluene-4-sulfonic acid; ozone; hydrazine hydrate; dimethyl sulfoxide; triethylamine; collidinium p-toluene sulfonate; toluene-4-sulfonic acid; In tetrahydrofuran; diethyl ether; ethanol; dichloromethane; water; tert-butyl alcohol; benzene;
DOI:10.1021/ja00197a039

Reference yield:

: 119772-89-3
<4'aS-(4'aα,8'aα)>-4',4'a,7',8',8'a,9'-Hexahydro-4'a-methylspiro<1,3-dioxolane-2,2'(1'H)-phenanthren>-6'(3'H)-one

: 119755-27-0
<3aS-(3aα,9aα,9bβ)>-3,3a,4,5,8,9,9a,9b-Octahydro-9a,9b-dimethyl-6-<(phenylthio)methyl>-1H-benzindene-1,7(2H)-dione

Guidance literature:: Multi-step reaction with 12 steps

1: 2.) triethylamine / 1.) benzene, toluene, 0 deg C, 30 min; 2.) room temp., 1 h

2: 1.) O₃; 2.) NaBH₄ / 1.) CH₂Cl₂, MeOH, -78 deg C; 2.) -78 deg C, 3 h

3: 78 percent / p-toluenesulfonic acid / CH₂Cl₂ / 0.5 h / 0 °C

4: 40 percent / LiAlH₄ / diethyl ether / 3.5 h / Heating

5: 1.) hydrazine monohydrate; 3.) KOH / 1.) triethylene glycol, 120 deg C, 2 h; 2.) 180 deg C, 3-4 h

6: 83 percent / aq. HCl / tetrahydrofuran / 7 h / Ambient temperature

7: 85 percent / 1.) oxalyl chloride, DMSO; 2.) triethylamin / CH₂Cl₂ / 1.) -65 deg C, 30 min; 2.) -65 deg C to room temp.

8: 95 percent / 2-methyl-2-butene, NaClO₂, NaH₂PO₄ / 2-methyl-propan-2-ol; H₂O / 0.25 h / Ambient temperature

10: benzene / 0.5 h / 65 °C

11: 83 percent / 70percent aq. HClO₄ / CH₂Cl₂ / 0.25 h / 0 °C

12: 82 percent / triethylamine / ethanol / 24 h / 60 °C

With hydrogenchloride; potassium hydroxide; sodium chlorite; sodium tetrahydroborate; sodium dihydrogenphosphate; lithium aluminium tetrahydride; perchloric acid; 2-methyl-but-2-ene; oxalyl dichloride; toluene-4-sulfonic acid; ozone; hydrazine hydrate; dimethyl sulfoxide; triethylamine; In tetrahydrofuran; diethyl ether; ethanol; dichloromethane; water; tert-butyl alcohol; benzene;
DOI:10.1021/ja00197a039