[(4R,6S)-6-{(E)-2-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl]ethenyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate 1,1-dimethylethylammonium

Base Information

• Chemical Name: [(4R,6S)-6-{(E)-2-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl]ethenyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate 1,1-dimethylethylammonium
• CAS No.: 1207460-30-7
• Molecular Formula: C₄H₁₁N*C₂₅H₃₂FN₃O₆S
• Molecular Weight: 594.748
• Mol file: 1207460-30-7.mol

Synonyms:[(4R,6S)-6-{(E)-2-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl]ethenyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate 1,1-dimethylethylammonium

Chemical Property of [(4R,6S)-6-{(E)-2-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl]ethenyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate 1,1-dimethylethylammonium

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of [(4R,6S)-6-{(E)-2-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl]ethenyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate 1,1-dimethylethylammonium

There total 7 articles about [(4R,6S)-6-{(E)-2-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl]ethenyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate 1,1-dimethylethylammonium 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:

2-[(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(isopropyl)pyrimidin-5-yl]vinyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid tert butyl ester (289042-12-2,1378943-63-5) + tert-butylamine (75-64-9) → [(4R,6S)-6-{(E)-2-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl]ethenyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate 1,1-dimethylethylammonium (1207460-30-7)

Guidance literature:

2-[(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(isopropyl)pyrimidin-5-yl]vinyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid tert butyl ester; With hydrogenchloride; In acetonitrile; at 20 ℃; for 3h;

With sodium hydroxide; In water; acetonitrile; at 20 - 50 ℃; pH=12 - 12.8;

tert-butylamine; Product distribution / selectivity;

Reference yield:

N-[4-(4-fluorophenyl)-5-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide (1344117-75-4) → [(4R,6S)-6-{(E)-2-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl]ethenyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate 1,1-dimethylethylammonium (1207460-30-7)

Guidance literature:

Multi-step reaction with 3 steps

1.1: ammonium molibdate; tetrabutylammomium bromide; dihydrogen peroxide / dichloromethane / 10 h / 0 - 5 °C

2.1: sodium methylate / tetrahydrofuran / -15 - 10 °C

3.1: hydrogenchloride / acetonitrile / 3 h / 20 °C

3.2: 20 - 50 °C / pH 12 - 12.8

With hydrogenchloride; ammonium molibdate; tetrabutylammomium bromide; dihydrogen peroxide; sodium methylate; In tetrahydrofuran; dichloromethane; acetonitrile;

Reference yield:

[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl]methyl diphenyl phosphate (1344117-76-5) → [(4R,6S)-6-{(E)-2-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl]ethenyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate 1,1-dimethylethylammonium (1207460-30-7)

Guidance literature:

Multi-step reaction with 4 steps

1.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 0 - 5 °C

1.2: pH 3.5

1.3: 20 °C

2.1: ammonium molibdate; tetrabutylammomium bromide; dihydrogen peroxide / dichloromethane / 10 h / 0 - 5 °C

3.1: sodium methylate / tetrahydrofuran / -15 - 10 °C

4.1: hydrogenchloride / acetonitrile / 3 h / 20 °C

4.2: 20 - 50 °C / pH 12 - 12.8

With hydrogenchloride; ammonium molibdate; tetrabutylammomium bromide; dihydrogen peroxide; sodium methylate; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; dichloromethane; acetonitrile;

upstream raw materials:

N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide

2-[(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(isopropyl)pyrimidin-5-yl]vinyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid tert butyl ester

tert-butylamine

N-[4-(4-fluorophenyl)-5-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide

Refernces