[(4aR,6S,8aR)-6-(4-Chloro-benzenesulfonyl)-6-(2,5-difluoro-phenyl)-2,2-dioxo-decahydro-2λ⁶-isothiochromen-3-yl]-phosphonic acid diethyl ester

Base Information

• Chemical Name: [(4aR,6S,8aR)-6-(4-Chloro-benzenesulfonyl)-6-(2,5-difluoro-phenyl)-2,2-dioxo-decahydro-2λ⁶-isothiochromen-3-yl]-phosphonic acid diethyl ester
• CAS No.: 894853-85-1
• Molecular Formula: C₂₅H₃₀ClF₂O₇PS₂
• Molecular Weight: 611.065

Synonyms:[(4aR,6S,8aR)-6-(4-Chloro-benzenesulfonyl)-6-(2,5-difluoro-phenyl)-2,2-dioxo-decahydro-2λ⁶-isothiochromen-3-yl]-phosphonic acid diethyl ester

Chemical Property of [(4aR,6S,8aR)-6-(4-Chloro-benzenesulfonyl)-6-(2,5-difluoro-phenyl)-2,2-dioxo-decahydro-2λ⁶-isothiochromen-3-yl]-phosphonic acid diethyl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of [(4aR,6S,8aR)-6-(4-Chloro-benzenesulfonyl)-6-(2,5-difluoro-phenyl)-2,2-dioxo-decahydro-2λ⁶-isothiochromen-3-yl]-phosphonic acid diethyl ester

There total 7 articles about [(4aR,6S,8aR)-6-(4-Chloro-benzenesulfonyl)-6-(2,5-difluoro-phenyl)-2,2-dioxo-decahydro-2λ⁶-isothiochromen-3-yl]-phosphonic acid diethyl ester 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: 76.0%

Toluene-4-sulfonic acid (1S,2R,5S)-5-(4-chloro-benzenesulfonyl)-2-(diethoxy-phosphorylmethanesulfonylmethyl)-5-(2,5-difluoro-phenyl)-cyclohexylmethyl ester (894853-84-0) → [(4aR,6S,8aR)-6-(4-Chloro-benzenesulfonyl)-6-(2,5-difluoro-phenyl)-2,2-dioxo-decahydro-2λ6-isothiochromen-3-yl]-phosphonic acid diethyl ester (894853-85-1)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; at -78 ℃;

DOI:10.1016/j.bmcl.2005.12.083

Reference yield:

4-[(4-chlorophenyl)sulfonyl]-4-(2,5-difluorophenyl)cyclohexanone (471903-20-5) → [(4aR,6S,8aR)-6-(4-Chloro-benzenesulfonyl)-6-(2,5-difluoro-phenyl)-2,2-dioxo-decahydro-2λ6-isothiochromen-3-yl]-phosphonic acid diethyl ester (894853-85-1)

Guidance literature:

Multi-step reaction with 7 steps

1.1: nBuLi; LiCl; [S-(R*,R*)]-(-)-bis-α-methylbenzylamine / tetrahydrofuran / -100 °C

1.2: 75 percent / SnCl₄ / CH₂Cl₂ / -40 °C

2.1: 78 percent / nBuLi / tetrahydrofuran / -78 °C

3.1: 90 percent / L-Selectride^TM / tetrahydrofuran / -40 °C

4.1: 68 percent / LiHMDS

5.1: 85 percent / BF₃*Et₂O / CH₂Cl₂

6.1: 90 percent / pyridine; DMAP

7.1: 76 percent / BuLi / tetrahydrofuran / -78 °C

With pyridine; dmap; n-butyllithium; [S-(R*,R*)]-(-)-bis-α-methylbenzylamine; boron trifluoride diethyl etherate; L-Selectride; lithium chloride; lithium hexamethyldisilazane; In tetrahydrofuran; dichloromethane; 2.1: Horner-Emmons reaction;

DOI:10.1016/j.bmcl.2005.12.083

Reference yield:

(2R,4S)-4-[(4-chlorophenyl)sulfonyl]-4-(2,5-difluorophenyl)-2-[2-(trimethylsilyl)ethoxymethyl]cyclohexanone (894853-74-8) → [(4aR,6S,8aR)-6-(4-Chloro-benzenesulfonyl)-6-(2,5-difluoro-phenyl)-2,2-dioxo-decahydro-2λ6-isothiochromen-3-yl]-phosphonic acid diethyl ester (894853-85-1)

Guidance literature:

Multi-step reaction with 6 steps

1: 78 percent / nBuLi / tetrahydrofuran / -78 °C

2: 90 percent / L-Selectride^TM / tetrahydrofuran / -40 °C

3: 68 percent / LiHMDS

4: 85 percent / BF₃*Et₂O / CH₂Cl₂

5: 90 percent / pyridine; DMAP

6: 76 percent / BuLi / tetrahydrofuran / -78 °C

With pyridine; dmap; n-butyllithium; boron trifluoride diethyl etherate; L-Selectride; lithium hexamethyldisilazane; In tetrahydrofuran; dichloromethane; 1: Horner-Emmons reaction;

DOI:10.1016/j.bmcl.2005.12.083

upstream raw materials:

Toluene-4-sulfonic acid (1S,2R,5S)-5-(4-chloro-benzenesulfonyl)-2-(diethoxy-phosphorylmethanesulfonylmethyl)-5-(2,5-difluoro-phenyl)-cyclohexylmethyl ester

4-[(4-chlorophenyl)sulfonyl]-4-(2,5-difluorophenyl)cyclohexanone

(2R,4S)-4-[(4-chlorophenyl)sulfonyl]-4-(2,5-difluorophenyl)-2-[2-(trimethylsilyl)ethoxymethyl]cyclohexanone

(2-{(1S,5S)-5-(4-Chloro-benzenesulfonyl)-5-(2,5-difluoro-phenyl)-2-[1-methanesulfonyl-meth-(E)-ylidene]-cyclohexylmethoxy}-ethyl)-trimethyl-silane

Downstream raw materials:

(4aS,6S,8aR)-6-(4-Chloro-benzenesulfonyl)-6-(2,5-difluoro-phenyl)-3-eth-(E)-ylidene-octahydro-isothiochromene 2,2-dioxide

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