Product Name

  • Name

    Methyl 4-(4-fluorophenyl)-6-isopropyl-2-[(N-methyl-N-methylsulfonyl)amino]pyrimidine-5-carboxylate

  • EINECS 608-290-6
  • CAS No. 289042-11-1
  • Article Data11
  • CAS DataBase
  • Density 1.305 g/cm3
  • Solubility
  • Melting Point
  • Formula C17H20FN3O4S
  • Boiling Point 551.956 °C at 760 mmHg
  • Molecular Weight 381.428
  • Flash Point 287.613 °C
  • Transport Information
  • Appearance White or off-white powder
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 289042-11-1 (Methyl 4-(4-fluorophenyl)-6-isopropyl-2-[(N-methyl-N-methylsulfonyl)amino]pyrimidine-5-carboxylate)
  • Hazard Symbols
  • Synonyms 4-(4-Fluorophenyl)-6-isopropyl-2-[(methanesulfonyl)methylamino]pyrimidine-5-carboxylicacid methyl ester;Rosuvastatin intermediate R-1-1;(Carboxylate) 4-(4-fluorophenyl)-6-isopropyl-2-(N-methyl-N-methylsulfonyl amino)pyrimidine-5-carboxylate;4-(4-Fluorophenyl)-6-isopropyl-2-(n-methyl-N-methylsulfonylamino)pyrimidine-5-carboxylate;
  • PSA 97.84000
  • LogP 3.66930

Synthetic route

4-(4-fluorophenyl)-6-isopropyl-5-methoxycarbonyl-3,4-dihydropyrimidine-2(1H)-one

4-(4-fluorophenyl)-6-isopropyl-5-methoxycarbonyl-3,4-dihydropyrimidine-2(1H)-one

N-methylmethane sulphonamide
1184-85-6

N-methylmethane sulphonamide

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate
289042-11-1

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate

Conditions
ConditionsYield
Stage #1: methyl 4-(4-fluorophenyl)-2-hydroxy-6-isopropylpyrimidine-5-carboxylate With potassium carbonate; p-toluenesulfonyl chloride In acetic acid butyl ester at 45℃; for 0.5h;
Stage #2: N-methylmethane sulphonamide With potassium carbonate In acetic acid butyl ester at 125℃; for 3h;		94%
N-methylmethane sulphonamide
1184-85-6

N-methylmethane sulphonamide

2-chloro-4-(4-fluoro-phenyl)-6-isopropyl-pyrimidine-5-carboxylic acid methyl ester
488798-38-5

2-chloro-4-(4-fluoro-phenyl)-6-isopropyl-pyrimidine-5-carboxylic acid methyl ester

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate
289042-11-1

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate

Conditions
ConditionsYield
Stage #1: N-methylmethane sulphonamide With sodium hydride In acetonitrile; mineral oil for 0.0833333h;
Stage #2: 2-chloro-4-(4-fluoro-phenyl)-6-isopropyl-pyrimidine-5-carboxylic acid methyl ester In acetonitrile; mineral oil for 7h; Reagent/catalyst; Solvent; Reflux;		93.2%
4-(4-fluorophenyl)-6-isopropyl-2-(methylsulfonyl)pyrimidine-5-carboxylic acid methyl ester
799842-06-1

4-(4-fluorophenyl)-6-isopropyl-2-(methylsulfonyl)pyrimidine-5-carboxylic acid methyl ester

sodium salt of N-methyl-N-methylsulfonylamine
41881-75-8

sodium salt of N-methyl-N-methylsulfonylamine

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate
289042-11-1

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 30℃; for 1h;92.42%
4-(4-fluorophenyl)-6-isopropyl-2-(methylsulfonyl)pyrimidine-5-carboxylic acid methyl ester
799842-06-1

4-(4-fluorophenyl)-6-isopropyl-2-(methylsulfonyl)pyrimidine-5-carboxylic acid methyl ester

N-methylmethane sulphonamide
1184-85-6

N-methylmethane sulphonamide

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate
289042-11-1

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate

Conditions
ConditionsYield
With potassium carbonate In acetonitrile at 25 - 85℃; for 2.5 - 3h; Product distribution / selectivity; Heating / reflux;87.93%
With potassium carbonate In acetic acid butyl ester at 90℃; for 3h; Product distribution / selectivity;
methyl 4-(4-fluorophenyl)-6-isopropyl-2-(methylamino)pyrimidine-5-carboxylate
160009-36-9

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(methylamino)pyrimidine-5-carboxylate

methanesulfonyl chloride
124-63-0

methanesulfonyl chloride

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate
289042-11-1

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate

Conditions
ConditionsYield
Stage #1: methyl 4-(4-fluorophenyl)-6-isopropyl-2-(methylamino)pyrimidine-5-carboxylate With sodium tert-pentoxide In 1,2-dimethoxyethane at 20℃; for 1h; Inert atmosphere;
Stage #2: methanesulfonyl chloride In 1,2-dimethoxyethane at -10℃; for 1h;		78%
Stage #1: methyl 4-(4-fluorophenyl)-6-isopropyl-2-(methylamino)pyrimidine-5-carboxylate With sodium tert-pentoxide In 1,2-dimethoxyethane at 20℃; for 0.5h;
Stage #2: methanesulfonyl chloride In 1,2-dimethoxyethane at -10℃; for 0.5h;		76%
With n-butyllithium In tetrahydrofuran; hexane at -75 - -70℃;63%
Stage #1: methyl 4-(4-fluorophenyl)-6-isopropyl-2-(methylamino)pyrimidine-5-carboxylate With sodium hydride In N,N-dimethyl-formamide at 20℃; for 0.25h;
Stage #2: methanesulfonyl chloride In N,N-dimethyl-formamide for 1h; Product distribution / selectivity;
methyl 2-[1-amino-1-(4-fluorophenyl)methylene]-4-methyl-3-oxopentanoate

methyl 2-[1-amino-1-(4-fluorophenyl)methylene]-4-methyl-3-oxopentanoate

sodium tert-pentoxide
14593-46-5

sodium tert-pentoxide

cyanogen chloride
506-77-4

cyanogen chloride

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate
289042-11-1

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate

Conditions
ConditionsYield
In water74.1%
...Expand
methyl 2-[1-amino-1-(4-fluorophenyl)methylene]-4-methyl-3-oxopentanoate

methyl 2-[1-amino-1-(4-fluorophenyl)methylene]-4-methyl-3-oxopentanoate

N-methylmethane sulphonamide
1184-85-6

N-methylmethane sulphonamide

cyanogen chloride
506-77-4

cyanogen chloride

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate
289042-11-1

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate

Conditions
ConditionsYield
With sodium t-butanolate In methanol; water; tert-butyl alcohol56.3%
In N,N-dimethyl acetamide; water; acetone29% [concentration (GC)
In N,N-dimethyl acetamide; water; acetone30.2% [concentration (GC)
In water; acetone
...Expand
N-cyano-N-methylmethanesulphonamide
317806-76-1

N-cyano-N-methylmethanesulphonamide

methyl 2-[1-amino-1-(4-fluorophenyl)methylene]-4-methyl-3-oxopentanoate

methyl 2-[1-amino-1-(4-fluorophenyl)methylene]-4-methyl-3-oxopentanoate

N-methylmethane sulphonamide
1184-85-6

N-methylmethane sulphonamide

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate
289042-11-1

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate

Conditions
ConditionsYield
With sodium t-butanolate In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; tert-butyl alcohol52.1%
...Expand
N-cyano-N-methylmethanesulphonamide
317806-76-1

N-cyano-N-methylmethanesulphonamide

methyl 2-[1-amino-1-(4-fluorophenyl)methylene]-4-methyl-3-oxopentanoate

methyl 2-[1-amino-1-(4-fluorophenyl)methylene]-4-methyl-3-oxopentanoate

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate
289042-11-1

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate

Conditions
ConditionsYield
In N,N-dimethyl acetamide; water27%
In N,N-dimethyl acetamide; water
titanium tetrachloride In water; toluene13.5% [concentration (HPLC)
methyl 2-[1-amino-1-(4-fluorophenyl)methylene]-4-methyl-3-oxopentanoate

methyl 2-[1-amino-1-(4-fluorophenyl)methylene]-4-methyl-3-oxopentanoate

N-methylmethane sulphonamide
1184-85-6

N-methylmethane sulphonamide

N,N-dimethyl acetamide
127-19-5

N,N-dimethyl acetamide

cyanogen chloride
506-77-4

cyanogen chloride

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate
289042-11-1

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate

Conditions
ConditionsYield
In water22%
...Expand
methyl 3-amino-2-[1-(4-fluorophenyl)methanoyl]-4-methylpent-2-enoate

methyl 3-amino-2-[1-(4-fluorophenyl)methanoyl]-4-methylpent-2-enoate

N-methylmethane sulphonamide
1184-85-6

N-methylmethane sulphonamide

cyanogen chloride
506-77-4

cyanogen chloride

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate
289042-11-1

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate

Conditions
ConditionsYield
With sodium t-butanolate In tert-butyl alcohol13.6%
...Expand
methyl 3-amino-2-[1-(4-fluorophenyl)methanoyl]-4-methylpent-2-enoate

methyl 3-amino-2-[1-(4-fluorophenyl)methanoyl]-4-methylpent-2-enoate

N-cyano-N-methylmethanesulphonamide
317806-76-1

N-cyano-N-methylmethanesulphonamide

N-methylmethane sulphonamide
1184-85-6

N-methylmethane sulphonamide

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate
289042-11-1

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate

Conditions
ConditionsYield
With sodium t-butanolate In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; tert-butyl alcohol9.8%
...Expand
methyl 4-(4-fluorophenyl)-6-isopropyl-2-methylsulfinylpyrimidine-5-carboxylate
904743-95-9

methyl 4-(4-fluorophenyl)-6-isopropyl-2-methylsulfinylpyrimidine-5-carboxylate

N-methylmethane sulphonamide
1184-85-6

N-methylmethane sulphonamide

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate
289042-11-1

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate

Conditions
ConditionsYield
With potassium carbonate In acetic acid butyl ester at 90℃; Product distribution / selectivity;
methyl 2-amino-4-(4-fluorophenyl)-6-isopropyl-pyrimidine-5-carboxylate
160009-37-0

methyl 2-amino-4-(4-fluorophenyl)-6-isopropyl-pyrimidine-5-carboxylate

sodium tert-pentoxide
14593-46-5

sodium tert-pentoxide

methanesulfonyl chloride
124-63-0

methanesulfonyl chloride

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate
289042-11-1

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate

Conditions
ConditionsYield
With sodium chloride; dimethyl sulfate In 1,2-dimethoxyethane; water
...Expand
N-cyano-N-methylmethanesulphonamide
317806-76-1

N-cyano-N-methylmethanesulphonamide

methyl 2-[1-amino-1-(4-fluorophenyl)methylene]-4-methyl-3-oxopentanoate

methyl 2-[1-amino-1-(4-fluorophenyl)methylene]-4-methyl-3-oxopentanoate

sodium tert-pentoxide
14593-46-5

sodium tert-pentoxide

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate
289042-11-1

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate

Conditions
ConditionsYield
In N,N-dimethyl acetamide; ISOPROPYLAMIDE; water
...Expand
methyl 2-amino-4-(4-fluorophenyl)-6-isopropyl-pyrimidine-5-carboxylate
160009-37-0

methyl 2-amino-4-(4-fluorophenyl)-6-isopropyl-pyrimidine-5-carboxylate

methanesulfonyl chloride
124-63-0

methanesulfonyl chloride

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate
289042-11-1

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate

Conditions
ConditionsYield
Stage #1: methyl 2-amino-4-(4-fluorophenyl)-6-isopropyl-pyrimidine-5-carboxylate With sodium tert-pentoxide In 1,2-dimethoxyethane at 25℃; for 0.5h;
Stage #2: methanesulfonyl chloride In 1,2-dimethoxyethane at -10 - -5℃; for 0.333333h;
Stage #3: With sodium tert-pentoxide; dimethyl sulfate more than 3 stages;
4-fluorobenzaldehyde
459-57-4

4-fluorobenzaldehyde

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate
289042-11-1

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: copper(l) chloride; sulfuric acid / methanol / 24 h / 80 °C / Inert atmosphere
2.1: copper dichloride; potassium carbonate; tert.-butylhydroperoxide / dichloromethane / 7 h / 40 °C
3.1: trichlorophosphate; N,N-dimethyl-aniline / 2.5 h / 80 °C / Inert atmosphere
4.1: sodium hydride / mineral oil; acetonitrile / 0.08 h
4.2: 7 h / Reflux
View Scheme
Multi-step reaction with 4 steps
1.1: copper(l) chloride; sulfuric acid / methanol / 24 h / 80 °C / Inert atmosphere
2.1: copper dichloride; potassium carbonate; tert.-butylhydroperoxide / dichloromethane / 7 h / 40 °C
3.1: trichlorophosphate; N,N-dimethyl-aniline / 2.5 h / 80 °C / Inert atmosphere
4.1: sodium hydride / mineral oil; acetonitrile / 0.08 h
4.2: 7 h / Reflux
View Scheme
Multi-step reaction with 3 steps
1.1: copper(l) chloride; sulfuric acid / methanol / 9 h / 78 °C
2.1: dipotassium peroxodisulfate / water / Reflux
3.1: potassium carbonate; p-toluenesulfonyl chloride / acetic acid butyl ester / 0.5 h / 45 °C
3.2: 3 h / 125 °C
View Scheme
Methyl 4-methyl-3-oxopentanoate
42558-54-3

Methyl 4-methyl-3-oxopentanoate

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate
289042-11-1

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: copper(l) chloride; sulfuric acid / methanol / 24 h / 80 °C / Inert atmosphere
2.1: copper dichloride; potassium carbonate; tert.-butylhydroperoxide / dichloromethane / 7 h / 40 °C
3.1: trichlorophosphate; N,N-dimethyl-aniline / 2.5 h / 80 °C / Inert atmosphere
4.1: sodium hydride / mineral oil; acetonitrile / 0.08 h
4.2: 7 h / Reflux
View Scheme
Multi-step reaction with 4 steps
1.1: copper(l) chloride; sulfuric acid / methanol / 24 h / 80 °C / Inert atmosphere
2.1: copper dichloride; potassium carbonate; tert.-butylhydroperoxide / dichloromethane / 7 h / 40 °C
3.1: trichlorophosphate; N,N-dimethyl-aniline / 2.5 h / 80 °C / Inert atmosphere
4.1: sodium hydride / mineral oil; acetonitrile / 0.08 h
4.2: 7 h / Reflux
View Scheme
Multi-step reaction with 3 steps
1.1: copper(l) chloride; sulfuric acid / methanol / 9 h / 78 °C
2.1: dipotassium peroxodisulfate / water / Reflux
3.1: potassium carbonate; p-toluenesulfonyl chloride / acetic acid butyl ester / 0.5 h / 45 °C
3.2: 3 h / 125 °C
View Scheme
methyl 4-(4-fluorophenyl)-6-isopropyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

methyl 4-(4-fluorophenyl)-6-isopropyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate
289042-11-1

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: copper dichloride; potassium carbonate; tert.-butylhydroperoxide / dichloromethane / 7 h / 40 °C
2.1: trichlorophosphate; N,N-dimethyl-aniline / 2.5 h / 80 °C / Inert atmosphere
3.1: sodium hydride / mineral oil; acetonitrile / 0.08 h
3.2: 7 h / Reflux
View Scheme
Multi-step reaction with 3 steps
1.1: copper dichloride; potassium carbonate; tert.-butylhydroperoxide / dichloromethane / 7 h / 40 °C
2.1: trichlorophosphate; N,N-dimethyl-aniline / 2.5 h / 80 °C / Inert atmosphere
3.1: sodium hydride / mineral oil; acetonitrile / 0.08 h
3.2: 7 h / Reflux
View Scheme
Multi-step reaction with 2 steps
1.1: dipotassium peroxodisulfate / water / Reflux
2.1: potassium carbonate; p-toluenesulfonyl chloride / acetic acid butyl ester / 0.5 h / 45 °C
2.2: 3 h / 125 °C
View Scheme
4-(4-fluorophenyl)-6-isopropyl-5-methoxycarbonyl-3,4-dihydropyrimidine-2(1H)-one

4-(4-fluorophenyl)-6-isopropyl-5-methoxycarbonyl-3,4-dihydropyrimidine-2(1H)-one

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate
289042-11-1

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: trichlorophosphate; N,N-dimethyl-aniline / 2.5 h / 80 °C / Inert atmosphere
2.1: sodium hydride / mineral oil; acetonitrile / 0.08 h
2.2: 7 h / Reflux
View Scheme
Multi-step reaction with 2 steps
1.1: trichlorophosphate; N,N-dimethyl-aniline / 2.5 h / 80 °C / Inert atmosphere
2.1: sodium hydride / mineral oil; acetonitrile / 0.08 h
2.2: 7 h / Reflux
View Scheme
N-methylmethane sulphonamide
1184-85-6

N-methylmethane sulphonamide

2-chloro-4-(4-fluoro-phenyl)-6-isopropyl-pyrimidine-5-carboxylic acid methyl ester
488798-38-5

2-chloro-4-(4-fluoro-phenyl)-6-isopropyl-pyrimidine-5-carboxylic acid methyl ester

A

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(methylamino)pyrimidine-5-carboxylate
160009-36-9

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(methylamino)pyrimidine-5-carboxylate

B

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate
289042-11-1

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate

C

4-(4-fluorophenyl)-6-isopropyl-2-(methanesulfonyl(methyl)amino)pyrimidine-5-carboxylic acid
1263475-93-9

4-(4-fluorophenyl)-6-isopropyl-2-(methanesulfonyl(methyl)amino)pyrimidine-5-carboxylic acid

Conditions
ConditionsYield
Stage #1: N-methylmethane sulphonamide With sodium hydride In acetonitrile; mineral oil for 0.0833333h;
Stage #2: 2-chloro-4-(4-fluoro-phenyl)-6-isopropyl-pyrimidine-5-carboxylic acid methyl ester In acetonitrile; mineral oil for 7h; Reflux;
...Expand
methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate
289042-11-1

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate

N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide
147118-36-3

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

Conditions
ConditionsYield
Stage #1: methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate With diisobutylaluminium hydride In hexane; toluene at -10℃; for 1h;
Stage #2: With hydrogenchloride In methanol; hexane; water; toluene at -10 - 40℃; for 0.333333h;		100%
Stage #1: methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate With sodium tetrahydroborate; boron trifluoride diethyl etherate In tetrahydrofuran at 0 - 60℃; for 20h;
Stage #2: With hydrogenchloride In tetrahydrofuran; water for 1.5h; Temperature; Reagent/catalyst; Solvent;		96.7%
Stage #1: methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate With diisobutylaluminium hydride In toluene at -15 - -5℃; for 2 - 2.5h;
Stage #2: With hydrogenchloride; water In toluene at -10 - 40℃; for 1 - 1.33333h;
Stage #3: With sodium hydrogencarbonate In water; ethyl acetate Product distribution / selectivity;		93%
methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate
289042-11-1

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate

4-(4-fluorophenyl)-6-isopropyl-2-(methanesulfonyl(methyl)amino)pyrimidine-5-carboxylic acid
1263475-93-9

4-(4-fluorophenyl)-6-isopropyl-2-(methanesulfonyl(methyl)amino)pyrimidine-5-carboxylic acid

Conditions
ConditionsYield
With sodium hydroxide In ethanol at 82℃; for 0.5h;95.8%
With lithium hydroxide In tetrahydrofuran; water at 60 - 70℃;90.5%
With water; lithium hydroxide In tetrahydrofuran at 60 - 70℃;90.5%
methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate
289042-11-1

methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate

Ethyl diphenylphosphinite
719-80-2

Ethyl diphenylphosphinite

N-(5-((diphenylphosphoryl)methyl)-4-(4-fluorophenyl)- 6-isopropylpyrimidin-2-yl)-N-methylmethansulfonamide
289042-10-0

N-(5-((diphenylphosphoryl)methyl)-4-(4-fluorophenyl)- 6-isopropylpyrimidin-2-yl)-N-methylmethansulfonamide

Conditions
ConditionsYield
Stage #1: methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate With diisobutylaluminium hydride In toluene at -10 - 0℃; for 2.5h;
Stage #2: With hydrogenchloride In methanol; water; acetonitrile at 0 - 40℃; for 2.83333h;
Stage #3: Ethyl diphenylphosphinite With phosphorus tribromide more than 3 stages;

Methyl 4-(4-fluorophenyl)-6-isopropyl-2-[(N-methyl-N-methylsulfonyl)amino]pyrimidine-5-carboxylate Chemical Properties


Systematic Name: Methyl 4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]pyrimidine-5-carboxylate
Molecular Formula: C17H20FN3O4S
Molecular Weight: 381.42 g/mol
Canonical SMILES: O=S(=O)(N(c1nc(c(c(n1)C(C)C)C(=O)OC)c2ccc(F)cc2)C)C
InChI: InChI=1/C17H20FN3O4S/c1-10(2)14-13(16(22)25-4)15(11-6-8-12(18)9-7-11)20-17(19-14)21(3)26(5,23)24/h6-10H,1-5H3
Product Categories: Intermediatesofrosuvastatincalcium; Rosuvastatin Calcium and its intermediates
Molar Volume: 292.364 cm3 
Polarizability: 37.303 10-24 cm3 
Surface Tension: 50.963 dyne/cm 
Density: 1.305 g/cm3 
Flash Point: 287.613 °C 
Enthalpy of Vaporization: 83.241 kJ/mol 
Boiling Point: 551.956 °C at 760 mmHg 
Vapour Pressure of Methyl 4-(4-fluorophenyl)-6-isopropyl-2-[(N-methyl-N-methylsulfonyl)amino]pyrimidine-5-carboxylate (CAS NO.289042-11-1): 0 mmHg at 25 °C

Methyl 4-(4-fluorophenyl)-6-isopropyl-2-[(N-methyl-N-methylsulfonyl)amino]pyrimidine-5-carboxylate Specification

  Methyl 4-(4-fluorophenyl)-6-isopropyl-2-[(N-methyl-N-methylsulfonyl)amino]pyrimidine-5-carboxylate (CAS NO.289042-11-1), its Synonyms are 4-(4-Fluorophenyl)-6-isopropyl-2-[(methanesulfonyl)methylamino]pyrimidine-5-carboxylic acid methyl ester ; Rosuvastatin intermediate R-1-1 ;4-(4-Fluorophenyl)-6-isopropyl-2-(n-methyl-N-methylsulfonylamino)pyrimidine-5-carboxylate ; (Carboxylate) 4-(4-fluorophenyl)-6-isopropyl-2-(N-methyl-N-methylsulfonyl amino)pyrimidine-5-carboxylate .

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