(3S)-4-[(3aS,6R,7aS)-tetrahydro-8,8-dimethyl-2,2-dioxido-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]-4-oxo-3-(phenylmethyl)butanoic acid

Base Information

Chemical Name:(3S)-4-[(3aS,6R,7aS)-tetrahydro-8,8-dimethyl-2,2-dioxido-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]-4-oxo-3-(phenylmethyl)butanoic acid
CAS No.:787635-23-8
Molecular Formula:C₂₁H₂₇NO₅S
Molecular Weight:405.515
Hs Code.:

Synonyms:(3S)-4-[(3aS,6R,7aS)-tetrahydro-8,8-dimethyl-2,2-dioxido-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]-4-oxo-3-(phenylmethyl)butanoic acid

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Chemical Property of (3S)-4-[(3aS,6R,7aS)-tetrahydro-8,8-dimethyl-2,2-dioxido-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]-4-oxo-3-(phenylmethyl)butanoic acid

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MSDS Files:: SDS file from LookChem

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Technology Process of (3S)-4-[(3aS,6R,7aS)-tetrahydro-8,8-dimethyl-2,2-dioxido-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]-4-oxo-3-(phenylmethyl)butanoic acid

There total 4 articles about (3S)-4-[(3aS,6R,7aS)-tetrahydro-8,8-dimethyl-2,2-dioxido-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]-4-oxo-3-(phenylmethyl)butanoic 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: 87.0%

: 787635-22-7
1,1-dimethylethyl (3S)-4-[(3aS,6R,7aS)-8,8-dimethyl-2,2-dioxidotetrahydro-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]-4-oxo-3-(phenylmethyl)butanoate

: 787635-23-8
(3S)-4-[(3aS,6R,7aS)-tetrahydro-8,8-dimethyl-2,2-dioxido-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]-4-oxo-3-(phenylmethyl)butanoic acid

Guidance literature:: With trifluoroacetic acid; In dichloromethane; at 20 ℃;
DOI:10.1002/hlca.200490174

Reference yield:

: 127392-81-8
1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)-3-phenylpropan-1-one

: 787635-23-8
(3S)-4-[(3aS,6R,7aS)-tetrahydro-8,8-dimethyl-2,2-dioxido-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]-4-oxo-3-(phenylmethyl)butanoic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: NaHMDS / tetrahydrofuran / 0.5 h / -78 °C

1.2: 92 percent / tetrahydrofuran; hexamethylphosphoric acid triamide / 20 h / -78 - 25 °C

2.1: 87 percent / trifluoroacetic acid / CH₂Cl₂ / 0 - 20 °C

With sodium hexamethyldisilazane; trifluoroacetic acid; In tetrahydrofuran; dichloromethane;
DOI:10.1081/SCC-200025625

Reference yield:

: 645-45-4
hydrocinnamic acid chloride

: 787635-23-8
(3S)-4-[(3aS,6R,7aS)-tetrahydro-8,8-dimethyl-2,2-dioxido-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]-4-oxo-3-(phenylmethyl)butanoic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: NaH / toluene; tetrahydrofuran / 1 h / 20 °C

1.2: 91 percent / tetrahydrofuran; toluene / 16 h

2.1: NaHMDS / tetrahydrofuran / 0.5 h / -78 °C

2.2: 92 percent / tetrahydrofuran; hexamethylphosphoric acid triamide / 20 h / -78 - 25 °C

3.1: 87 percent / trifluoroacetic acid / CH₂Cl₂ / 0 - 20 °C

With sodium hexamethyldisilazane; sodium hydride; trifluoroacetic acid; In tetrahydrofuran; dichloromethane; toluene;
DOI:10.1081/SCC-200025625