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130049-82-0

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Basic Information
CAS No.: 130049-82-0
Name: 3-(2-Chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Article Data: 25
Cas Database
Molecular Structure:
Molecular Structure of 130049-82-0 (3-(2-Chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one)
Formula: C11H15O2N2Cl
Molecular Weight: 242.705
Synonyms: 3-(2-Chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one;3-(2-Chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one;3-(2-Chloroethyl)-9-hydroxy-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one;9-Hydroxy-3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one;
EINECS: 603-382-2
Density: 1.41 g/cm3
Melting Point: 100-102°C
Boiling Point: 389.3 °C at 760 mmHg
Flash Point: 189.2 °C
Appearance: pale-yellow solid
PSA: 55.12000
LogP: 1.16020
Related products
Synthetic route
260273-82-3

3-(2-chloroethyl)-2-methyl-9-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one

130049-82-0

3-(2-chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one

Conditions
ConditionsYield
Stage #1: 3-(2-chloroethyl)-2-methyl-9-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one With hydrogenchloride; palladium 10% on activated carbon In ethanol; water Green chemistry;
Stage #2: With hydrogen In ethanol; water at 80℃; under 11251.1 Torr; Catalytic behavior; Solvent; Reagent/catalyst; Temperature; Pressure; Green chemistry;		99.32%
Stage #1: 3-(2-chloroethyl)-2-methyl-9-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one With hydrogen; palladium 10% on activated carbon In acetic acid at 25 - 30℃; under 2206.72 Torr;
Stage #2: With sodium hydroxide In dichloromethane; water pH=5.5 - 6.0; Product distribution / selectivity;
With hydrogen; palladium 10% on activated carbon In acetic acid at 35℃; under 735.572 - 2206.72 Torr; Product distribution / selectivity;
849727-62-4

3-(2-chloroethyl)-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one monohydrochloride

130049-82-0

3-(2-chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one

Conditions
ConditionsYield
Stage #1: 3-(2-chloroethyl)-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one monohydrochloride With hydrogen; 5%-palladium/activated carbon In water; isopropyl alcohol at 55℃; under 760.051 Torr; Inert atmosphere;
Stage #2: With potassium acetate In water Product distribution / selectivity;		92%
Stage #1: 3-(2-chloroethyl)-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one monohydrochloride In methanol at 50 - 55℃;
Stage #2: With hydrogen; palladium 10% on activated carbon In methanol at 50 - 55℃; for 8h;		68.25%
Stage #1: 3-(2-chloroethyl)-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one monohydrochloride With pyrographite In methanol at 50 - 55℃; for 0.75h; Large scale;
Stage #2: With palladium 10% on activated carbon; hydrogen In methanol; dichloromethane at 25 - 30℃; under 2172.08 - 2947.82 Torr; Large scale;		39%
1204248-71-4

C11H14ClN3O2

130049-82-0

3-(2-chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one

Conditions
ConditionsYield
Stage #1: C11H14ClN3O2 With hydrogenchloride; titanium(III) chloride; water at 70℃; for 0.5h; Inert atmosphere;
Stage #2: With sodium hydrogencarbonate In water		87%
147687-17-0

9-(benzyloxy)-3-(2-chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

130049-82-0

3-(2-chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one

Conditions
ConditionsYield
With hydrogenchloride; palladium 10% on activated carbon; hydrogen In methanol; water; tert-butyl alcohol at 25 - 30℃; under 775.743 Torr; for 16h; Reagent/catalyst; Solvent; Pressure;74.4%
With hydrogenchloride; hydrogen; palladium 10% on activated carbon In water at 25 - 30℃;69%
With cyclohexene; palladium 10% on activated carbon for 19h; Product distribution / selectivity; Heating / reflux;
130049-79-5

9-benzyloxy-3-(2-chloro-ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one

130049-82-0

3-(2-chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one

Conditions
ConditionsYield
Stage #1: 9-benzyloxy-3-(2-chloro-ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one With hydrogenchloride; hydrogen; 5% palladium over charcoal In methanol at 27℃; for 36h; pH=3.0; Inert atmosphere;
Stage #2: With sodium hydroxide In water at 5℃; pH=10 - 11;		72.6%
With hydrogenchloride; hydrogen; palladium 10% on activated carbon In water at 25 - 30℃; under 735.572 - 1471.14 Torr; for 4 - 6h;69%
1117803-76-5

3-(2-chloroethyl)-6,7,8,9-tetrahydro-9-acetyloxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

130049-82-0

3-(2-chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one

Conditions
ConditionsYield
With sodium hydroxide In water
1254173-48-2

3-(2-chloroethyl)-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one monohydrochloride

130049-82-0

3-(2-chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one

Conditions
ConditionsYield
Stage #1: 3-(2-chloroethyl)-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one monohydrochloride With hydrogen; 1% Pd/C In acetic acid at 35℃; under 2206.72 - 2574.5 Torr; for 6h;
Stage #2: With sodium hydroxide In water at 0℃; for 1h; pH=6; Product distribution / selectivity;
147687-17-0

9-(benzyloxy)-3-(2-chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

A

130049-82-0

3-(2-chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one

B

260273-82-3

3-(2-chloroethyl)-2-methyl-9-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one

Conditions
ConditionsYield
With hydrogenchloride; hydrogen; 1% Pd/C In methanol; water at 25 - 30℃; under 735.572 - 1471.14 Torr; for 1h; Product distribution / selectivity; Autoclave;A 28.8 %Chromat.
B 62 %Chromat.
147687-17-0

9-(benzyloxy)-3-(2-chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

A

130049-82-0

3-(2-chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one

B

849903-79-3

3-ethyl-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one

Conditions
ConditionsYield
With hydrogenchloride; hydrogen; 1% Pd/C In methanol; water at 25 - 30℃; under 735.572 - 1471.14 Torr; for 3.5h; Product distribution / selectivity; Autoclave;A 48.9 %Chromat.
B 39 %Chromat.
1228559-69-0

3-(2-chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one oxalate

130049-82-0

3-(2-chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one

Conditions
ConditionsYield
With potassium acetate In water at 0 - 5℃; for 1h; pH=4.8;
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Chemistry

Empirical Formula: C11H15ClN2O2
Molecular Weight: 242.702g/mol
Structure of 4H-Pyrido[1,2-a]pyrimidin-4-one,3-(2-chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl- (CAS NO.130049-82-0):

Index of Refraction: 1.634
Molar Refractivity: 61.26 cm3
Molar Volume: 171.1 cm3
Polarizability: 24.28×10-24cm3
Surface Tension: 50.3 dyne/cm
Density: 1.41 g/cm3
Flash Point: 189.2 °C
Enthalpy of Vaporization: 73.84 kJ/mol
Boiling Point: 389.3 °C at 760 mmHg
Vapour Pressure: 1.14E-07 mmHg at 25°C 
Product Categories: Heterocyclic Compounds;Bases & Related Reagents;Heterocycles;Nucleotides 
Systematic Name: 3-(2-chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
SMILES: O=C2C(/CCCl)=C(/C)\N=C1\C(O)CCCN12
InChI: InChI=1/C11H15ClN2O2/c1-7-8(4-5-12)11(16)14-6-2-3-9(15)10(14)13-7/h9,15H,2-6H2,1H3
InChIKey: JKVUGXRJSYRXFN-UHFFFAOYAK

Specification


  4H-Pyrido[1,2-a]pyrimidin-4-one,3-(2-chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl- , its cas register number is 130049-82-0. It also can be called 3-(2-Chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one . 4H-Pyrido[1,2-a]pyrimidin-4-one,3-(2-chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl- (CAS NO.130049-82-0) is a pale-yellow solid.