Product Name

  • Name

    Ethyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate

  • EINECS 227-619-0
  • CAS No. 5909-24-0
  • Article Data16
  • CAS DataBase
  • Density 1.37 g/cm3
  • Solubility
  • Melting Point 60-63 °C(lit.)
  • Formula C8H9ClN2O2S
  • Boiling Point 335.7 °C at 760 mmHg
  • Molecular Weight 232.691
  • Flash Point 156.83 °C
  • Transport Information
  • Appearance off white to light yellow solid
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 5909-24-0 (Ethyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate)
  • Hazard Symbols IrritantXi
  • Synonyms 2-Methylthio-4-chloro-5-ethoxycarbonylpyrimidine;4-Chloro-2-methanethiopyrimidine-5-carboxylic acid ethyl ester;4-Chloro-2-methylsulfanylpyrimidine-5-carboxylic acid ethyl ester;4-Chloro-5-carbethoxy-2-methylthiopyrimidine;4-Chloro-5-ethoxycarbonyl-2-methylthiopyrimidine;
  • PSA 77.38000
  • LogP 2.02860

Synthetic route

ethyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate
53554-29-3

ethyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

Conditions
ConditionsYield
With thionyl chloride at 60℃; for 3h;92%
With N,N-diethylaniline; trichlorophosphate for 5h; Heating / reflux;77%
With trichlorophosphate In acetonitrile for 6h; Reagent/catalyst; Reflux;77%
sodium 5-(ethoxycarbonyl)-2-(methylthio)-4-oxo-4H-pyrimidin-3-ide

sodium 5-(ethoxycarbonyl)-2-(methylthio)-4-oxo-4H-pyrimidin-3-ide

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

Conditions
ConditionsYield
Stage #1: sodium 5-(ethoxycarbonyl)-2-(methylthio)-4-oxo-4H-pyrimidin-3-ide With thionyl chloride In N,N-dimethyl-formamide; toluene at 20 - 30℃; for 0.5h; Large scale;
Stage #2: With trichlorophosphate In N,N-dimethyl-formamide; toluene at 55 - 65℃; for 1.5h; Large scale;		84.5%
With trichlorophosphate for 3h; Reflux;
With trichlorophosphate at 0℃; for 5h; Reflux;
ethyl 3,4-dihydro-2-methylthio-4-oxopyrimidine-5-carboxylate
53554-29-3

ethyl 3,4-dihydro-2-methylthio-4-oxopyrimidine-5-carboxylate

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

Conditions
ConditionsYield
With thionyl chloride
With trichlorophosphate
With trichlorophosphate at 100℃; for 3h;
diethyl 2-ethoxymethylenemalonate
87-13-8

diethyl 2-ethoxymethylenemalonate

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: EtONa / ethanol
2: POCl3
View Scheme
Multi-step reaction with 2 steps
1: aqueous KOH
2: POCl3
View Scheme
Multi-step reaction with 2 steps
1.1: sodium hydroxide / water / 0.08 h / 20 °C
1.2: 24 h / 20 °C
2.1: trichlorophosphate / 3 h / Reflux
View Scheme
4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

methylamine
74-89-5

methylamine

4-methylamino-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester
76360-82-2

4-methylamino-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester

Conditions
ConditionsYield
In ethanol; dichloromethane at 0℃; for 0.5h;100%
With triethylamine In tetrahydrofuran at 50℃;100%
at 0℃; for 0.5h;100%
4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

ethyl 4-hydrazinyl-2-(methylsulfanyl)pyrimidine-5-carboxylate
117147-06-5

ethyl 4-hydrazinyl-2-(methylsulfanyl)pyrimidine-5-carboxylate

Conditions
ConditionsYield
With hydrazine hydrate In ethanol at 0℃; for 1h;100%
With hydrazine hydrate In ethanol at 0℃; for 1h;91.8%
With hydrazine hydrate In ethanol at 0 - 20℃; for 1h;85.71%
4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

Cyclopentamine
1003-03-8

Cyclopentamine

4-cyclopentylamino-2-(methylsulfanyl)pyrimidine-5-carboxylic acid ethyl ester
211245-62-4

4-cyclopentylamino-2-(methylsulfanyl)pyrimidine-5-carboxylic acid ethyl ester

Conditions
ConditionsYield
With triethylamine In dichloromethane100%
With triethylamine In dichloromethane for 0.75h; Heating / reflux;97%
With triethylamine In tetrahydrofuran at 20℃; for 1h;96.1%
4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

(3-chloro-4-methoxyphenyl)methanamine
115514-77-7

(3-chloro-4-methoxyphenyl)methanamine

ethyl 4-[(3-chloro-4-methoxybenzyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate
330785-81-4

ethyl 4-[(3-chloro-4-methoxybenzyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 20℃;100%
With triethylamine In acetone at 20℃; for 3h;87%
With triethylamine In dichloromethane at 20℃; for 10h;76%
4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

N'-cyclohexyl-hydrazine carboxylic acid tert-butyl ester
60295-21-8

N'-cyclohexyl-hydrazine carboxylic acid tert-butyl ester

C19H30N4O4S
900502-62-7

C19H30N4O4S

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 20℃;100%
With triethylamine In tetrahydrofuran at 20℃;100%
4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

N-(((2S,4R)-4-hydroxypyrrolidin-2-yl)methyl)-2-nitrobenzenesulfonamide
1410975-83-5

N-(((2S,4R)-4-hydroxypyrrolidin-2-yl)methyl)-2-nitrobenzenesulfonamide

ethyl 4-((2S,4R)-4-hydroxy-2-((2-nitrophenylsulfonamido)methyl)pyrrolidin-1-yl)-2-(methylthio)pyrimidine-5-carboxylate
1410975-85-7

ethyl 4-((2S,4R)-4-hydroxy-2-((2-nitrophenylsulfonamido)methyl)pyrrolidin-1-yl)-2-(methylthio)pyrimidine-5-carboxylate

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In 1,4-dioxane at 90℃; for 1.5h;100%
4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

ethylamine
75-04-7

ethylamine

4-ethylamino-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester
185040-33-9

4-ethylamino-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester

Conditions
ConditionsYield
In water; acetonitrile at 0 - 20℃; for 8h;99.1%
With triethylamine In tetrahydrofuran; water at 20℃; for 4h;93%
With triethylamine In tetrahydrofuran at 20℃;92%
4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

ethyl 4-amino-2-methylmercaptopyrimidine-5-carboxylate
776-53-4

ethyl 4-amino-2-methylmercaptopyrimidine-5-carboxylate

Conditions
ConditionsYield
With ammonium hydroxide; triethylamine In tetrahydrofuran; water at 30℃; for 2h;99%
With ammonium hydroxide; triethylamine In tetrahydrofuran for 2h;99%
With ammonium hydroxide; triethylamine In tetrahydrofuran at 30℃; for 2h;99%
4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

isopropylamine
75-31-0

isopropylamine

4-isopropylamino-2-(methylsulfanyl)pyrimidine-5-carboxylic acid ethyl ester
25693-79-2

4-isopropylamino-2-(methylsulfanyl)pyrimidine-5-carboxylic acid ethyl ester

Conditions
ConditionsYield
In water; acetonitrile at 0 - 20℃; for 8h;99%
In 1-methyl-pyrrolidin-2-one at 60℃;98%
With triethylamine In tetrahydrofuran at 20℃;95%
4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

ethyl 3-methylaminopropionate
2213-08-3

ethyl 3-methylaminopropionate

ethyl 4-((3-ethoxy-3-oxopropyl)(methyl)amino)-2-(methylthio)pyrimidine-5-carboxylate
625106-58-3

ethyl 4-((3-ethoxy-3-oxopropyl)(methyl)amino)-2-(methylthio)pyrimidine-5-carboxylate

Conditions
ConditionsYield
With triethylamine In acetonitrile for 16h; Reflux;99%
In tetrahydrofuran at 50℃; for 1h; Inert atmosphere;43%
4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

cycloheptanamine
5452-35-7

cycloheptanamine

ethyl 4-(cycloheptylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate

ethyl 4-(cycloheptylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃; for 18h;99%
With triethylamine In N,N-dimethyl-formamide at 20℃; for 4h;90%
4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

ethyl 2-(methylthio)pyrimidine-5-carboxylate
73781-88-1

ethyl 2-(methylthio)pyrimidine-5-carboxylate

Conditions
ConditionsYield
With palladium 10% on activated carbon; hydrogen; sodium carbonate In ethanol under 3102.97 Torr; for 48h;98.2%
With hydrogen; sodium hydrogencarbonate; palladium 10% on activated carbon In ethanol for 48h;70%
With acetic acid; zinc In tetrahydrofuran for 6h; Heating / reflux;63%
4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

2-ethyl-N-butylamine
617-79-8

2-ethyl-N-butylamine

methyl 4-[(2-ethylbutyl)amino]-2-(methylthio)pyrimidine-5-carboxylate
686266-25-1

methyl 4-[(2-ethylbutyl)amino]-2-(methylthio)pyrimidine-5-carboxylate

Conditions
ConditionsYield
With triethylamine at 20℃; for 18h;98%
4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

methylamine hydrochloride
593-51-1

methylamine hydrochloride

4-methylamino-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester
76360-82-2

4-methylamino-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 0 - 20℃; for 15h; Inert atmosphere;98%
With triethylamine In tetrahydrofuran at 0 - 20℃; for 15h; Inert atmosphere;94%
With N-ethyl-N,N-diisopropylamine In acetonitrile at 100℃; for 3h;
4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

N-(((2S,4R)-4-fluoropyrrolidine-2-yl)methyl)-2-nitrobenzenesulfonamide
1410975-65-3

N-(((2S,4R)-4-fluoropyrrolidine-2-yl)methyl)-2-nitrobenzenesulfonamide

ethyl 4-((2S,4R)-4-fluoro-2-((2-nitrophenylsulfonamido)pyrrolidin-1-yl)-2-(methylthio)pyrimidine)-5-carboxylate

ethyl 4-((2S,4R)-4-fluoro-2-((2-nitrophenylsulfonamido)pyrrolidin-1-yl)-2-(methylthio)pyrimidine)-5-carboxylate

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In 1,4-dioxane at 90℃; for 2.5h;97%
1-(3-fluoro-4-methoxyphenyl)methanamine
123652-95-9

1-(3-fluoro-4-methoxyphenyl)methanamine

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

ethyl 4-((3-fluoro-4-methoxybenzyl)amino)-2-(methylthio)pyrimidine-5-carboxylate

ethyl 4-((3-fluoro-4-methoxybenzyl)amino)-2-(methylthio)pyrimidine-5-carboxylate

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃; for 0.5h;97%
4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

benzylamine
100-46-9

benzylamine

ethyl 4-(benzylamino)-2-(methylthio)pyrimidine-5-carboxylate
100973-67-9

ethyl 4-(benzylamino)-2-(methylthio)pyrimidine-5-carboxylate

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; for 5h;96%
With N-ethyl-N,N-diisopropylamine In acetonitrile
With N-ethyl-N,N-diisopropylamine In 1,4-dioxane at 20℃;
With N-ethyl-N,N-diisopropylamine In 1,4-dioxane at 0 - 26℃;
4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

(3-aminophenyl)carbamic acid tert-butyl ester
68621-88-5

(3-aminophenyl)carbamic acid tert-butyl ester

4-(3-tert-butoxycarbonylaminoanilino)-2-methylmercaptopyrimidine-5-carbonic acid ethyl ester
1363161-14-1

4-(3-tert-butoxycarbonylaminoanilino)-2-methylmercaptopyrimidine-5-carbonic acid ethyl ester

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 80℃; Inert atmosphere;96%
With potassium carbonate In N,N-dimethyl-formamide at 80℃; Inert atmosphere;96%
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 2h;95%
4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

cis-(2-aminocyclopentyl)methanol

cis-(2-aminocyclopentyl)methanol

ethyl 4-(cis-2-(hydroxymethyl)cyclopentylamino)-2-(methylthio)pyrimidine-5-carboxylate

ethyl 4-(cis-2-(hydroxymethyl)cyclopentylamino)-2-(methylthio)pyrimidine-5-carboxylate

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In ethanol at 60℃; for 2.5h;96%
C12H22N2O2

C12H22N2O2

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

C20H30N4O4S

C20H30N4O4S

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 4 - 65℃; for 17h;95.5%
4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

1-ethylhydrazinecarboxylic acid tert-butyl ester
955370-01-1

1-ethylhydrazinecarboxylic acid tert-butyl ester

ethyl 4-(2-(tert-butoxycarbonyl)-2-ethylhydrazinyl)-2-(methylthio)pyrimidine-5-carboxylate

ethyl 4-(2-(tert-butoxycarbonyl)-2-ethylhydrazinyl)-2-(methylthio)pyrimidine-5-carboxylate

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 60℃; for 16h;95.03%
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 60℃; for 16h;95%
4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

Cyclopropylamine
765-30-0

Cyclopropylamine

4-cyclopropylamino-2-(methylsulfanyl)pyrimidine-5-carboxylic acid ethyl ester
651734-65-5

4-cyclopropylamino-2-(methylsulfanyl)pyrimidine-5-carboxylic acid ethyl ester

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 20℃;95%
With triethylamine In acetonitrile at 0 - 20℃; for 4h;92%
With triethylamine In tetrahydrofuran at 20℃;90%
With triethylamine In tetrahydrofuran at 20℃;90%
With triethylamine In dichloromethane at 15 - 42℃; for 2h; Inert atmosphere;
aqueous ethylamine

aqueous ethylamine

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

4-ethylamino-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester
185040-33-9

4-ethylamino-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran95%
4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

1-amino-7-methoxyindane hydrochloride
1187160-18-4

1-amino-7-methoxyindane hydrochloride

ethyl 4-(7-methoxy-2,3-dihydro-1H-inden-1ylamino)-2-(methylthio)pyrimidine-5-carboxylate
1232030-41-9

ethyl 4-(7-methoxy-2,3-dihydro-1H-inden-1ylamino)-2-(methylthio)pyrimidine-5-carboxylate

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 0 - 20℃;95%
4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

1-aminobicyclo<1.1.1>pentane hydrochloride
22287-35-0

1-aminobicyclo<1.1.1>pentane hydrochloride

ethyl 4-(bicyclo[1.1.1]pentan-1-ylamino)-2-(methylthio)pyrimidine-5-carboxylate
1403865-19-9

ethyl 4-(bicyclo[1.1.1]pentan-1-ylamino)-2-(methylthio)pyrimidine-5-carboxylate

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 20℃; for 48h; Inert atmosphere;95%
With triethylamine In tetrahydrofuran at 20℃; for 72h;80%
With N-ethyl-N,N-diisopropylamine In ethanol at 20℃;
4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

N-butylamine
109-73-9

N-butylamine

4-butylamino-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester
1027417-40-8

4-butylamino-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 20℃;95%
4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

1-pentanamine
110-58-7

1-pentanamine

2-methylsulfanyl-4-pentylamino-pyrimidine-5-carboxylic acid ethyl ester
1537216-06-0

2-methylsulfanyl-4-pentylamino-pyrimidine-5-carboxylic acid ethyl ester

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 20℃;95%
4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

p-benzyloxyaniline
6373-46-2

p-benzyloxyaniline

ethyl 4-((4-(benzyloxy)phenyl)amino)-2-(methylthio)pyrimidine-5-carboxylate

ethyl 4-((4-(benzyloxy)phenyl)amino)-2-(methylthio)pyrimidine-5-carboxylate

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In dimethylsulfoxide-d6 at 20 - 80℃; for 2h;95%
4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

(+/-)-trans-3-(tert-butyl-dimethylsilanyloxy)-cyclopentylamine

(+/-)-trans-3-(tert-butyl-dimethylsilanyloxy)-cyclopentylamine

4-[3-(tert-butyldimethylsilanyloxy)cyclopentylamino]-2-methylsulfanylpyrimidine-5-carboxylic acid ethyl ester

4-[3-(tert-butyldimethylsilanyloxy)cyclopentylamino]-2-methylsulfanylpyrimidine-5-carboxylic acid ethyl ester

Conditions
ConditionsYield
With triethylamine In 1,4-dioxane for 0.5h; Heating;94%
4-(4-amino-2-fluorophenoxy)pyridin-2-carboxamide
868733-71-5

4-(4-amino-2-fluorophenoxy)pyridin-2-carboxamide

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

ethyl 4-(4-(2-carbamoylpyridin-4-yloxy)-3-fluorophenylamino)-2-(methylthio)pyrimidine-5-carboxylate hydrochloride

ethyl 4-(4-(2-carbamoylpyridin-4-yloxy)-3-fluorophenylamino)-2-(methylthio)pyrimidine-5-carboxylate hydrochloride

Conditions
ConditionsYield
With hydrogenchloride In 1,4-dioxane; 1-methyl-pyrrolidin-2-one93%

Ethyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate Specification

The Ethyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate, with the CAS registry number 5909-24-0 and EINECS registry number 227-619-0, has the systematic name of ethyl 4-chloro-2-(methylsulfanyl)pyrimidine-5-carboxylate. And the molecular formula of this chemical is C8H9ClN2O2S. It is a kind of off white to light yellow solid, and should keep cold. In addition, it is a pyrimidine derivative, and used as inhibitor of Streptococcus faecium, Lactobacillus casei, and Pediococcus cerevisiae.

The physical properties of Ethyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate are as following: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.945; (4)ACD/LogD (pH 7.4): 1.945; (5)ACD/BCF (pH 5.5): 17.719; (6)ACD/BCF (pH 7.4): 17.719; (7)ACD/KOC (pH 5.5): 272.428; (8)ACD/KOC (pH 7.4): 272.428; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 77.38 Å2; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 55.559 cm3; (15)Molar Volume: 169.735 cm3; (16)Polarizability: 22.025×10-24cm3; (17)Surface Tension: 57.906 dyne/cm; (18)Density: 1.371 g/cm3; (19)Flash Point: 156.83 °C; (20)Enthalpy of Vaporization: 57.879 kJ/mol; (21)Boiling Point: 335.707 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Uses of Ethyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate: It can react with tert-butyl hydroperoxide to produce 4-tert-butylperoxy-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester. This reaction will need reagent Bariumoxid, and the solvent petroleum ether. The reaction time is 2 hours with temperature of 0°C, and the yield is about 62%.

Ethyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate can react with tert-butyl hydroperoxide to produce 4-tert-butylperoxy-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1cnc(nc1Cl)SC
(2)InChI: InChI=1/C8H9ClN2O2S/c1-3-13-7(12)5-4-10-8(14-2)11-6(5)9/h4H,3H2,1-2H3
(3)InChIKey: SNNHLSHDDGJVDM-UHFFFAOYAH

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