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145783-15-9

Basic Information
CAS No.: 145783-15-9
Name: 4,6-dichloro-2-propylthiopyrimidine-5-amine
Article Data: 28
Molecular Structure:
Molecular Structure of 145783-15-9 (4,6-dichloro-2-propylthiopyrimidine-5-amine)
Formula: C7H9Cl2N3S
Molecular Weight: 238.141
Synonyms: 4,6-dichloro-2-propylthiopyrimidine-5-amine;5-amino-4,6-dichloro-2-propylthiopyrimidine;EX-7178;5-Amino-4,6-dichloro-2-(propylthio)pyrimidine;
EINECS: 808-051-8
Density: 1.445 g/cm3
Boiling Point: 334.05 °C at 760 mmHg
Flash Point: 155.828 °C
Solubility: 100mg/L at 22℃
Safety: 24/25
PSA: 77.10000
LogP: 3.44890
Synthetic route
145783-14-8

4,6-dichloro-5-nitro-2-(propylsulfanyl)pyrimidine

145783-15-9

4,6-dichloro-2-(propylsulfanyl)-5-pyrimidinamine

Conditions
ConditionsYield
With ammonium molibdate; hydrogen; hypophosphorous acid; platinum on carbon In tert-butyl methyl ether at 20 - 65℃; under 7500.75 Torr; for 7h; Product distribution / selectivity; Inert atmosphere;100%
Stage #1: 4,6-dichloro-5-nitro-2-(propylsulfanyl)pyrimidine With iron; acetic acid In methanol at 50℃;
Stage #2: With sodium hydrogencarbonate In water; ethyl acetate Product distribution / selectivity;
95%
With iron; acetic acid for 4h;73%
1549834-66-3

4,6-dihydroxy-5-amino-2-(propylmercapto)pyrimidine hydrochloride

145783-15-9

4,6-dichloro-2-(propylsulfanyl)-5-pyrimidinamine

Conditions
ConditionsYield
With trichlorophosphate for 22.5h; Time; Concentration; Reflux; Sealed tube;96%
With trichlorophosphate for 22.5h; Time; Sealed tube; Reflux;96%
With pyridine; trichlorophosphate at 88 - 92℃; for 24h;84%

4,6-dihydroxy-2-(propylthio)-5-aminopyrimidine

145783-15-9

4,6-dichloro-2-(propylsulfanyl)-5-pyrimidinamine

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine; trichlorophosphate at 75℃; for 4h; Reagent/catalyst; Temperature;93%
With trichlorophosphate for 24h; Reflux; Large scale;90%

5-amino-2-propylthio-pyrimidine

145783-15-9

4,6-dichloro-2-(propylsulfanyl)-5-pyrimidinamine

Conditions
ConditionsYield
With chlorine In chloroform at 30℃; for 6h;88%

4,6-dichloro-5-[(E)-2-(4-phenyl)diazenyl]-2-(propylsulfanyl)pyrimidine

145783-15-9

4,6-dichloro-2-(propylsulfanyl)-5-pyrimidinamine

Conditions
ConditionsYield
Stage #1: 4,6-dichloro-5-[(E)-2-(4-phenyl)diazenyl]-2-(propylsulfanyl)pyrimidine With ammonium formate; zinc In methanol; isopropyl alcohol for 0.166667h;
Stage #2: With hydrogen; Raney Ni In methanol; isopropyl alcohol at 20℃; under 7500.75 Torr; for 11h; Product distribution / selectivity;
78%
376608-73-0

4,6-dichloro-5-((E)-2-(4-methylphenyl)diazenyl)-2-(propylsulfanyl)pyrimidine

145783-15-9

4,6-dichloro-2-(propylsulfanyl)-5-pyrimidinamine

Conditions
ConditionsYield
With hydrogen; 10 wt% platinum on carbon In ethyl acetate at 20 - 40℃; under 2250.23 Torr; for 0.5 - 2.5h; Product distribution / selectivity;
Multi-step reaction with 2 steps
1: ammonium formate; zinc / methanol; isopropyl alcohol / 0.33 h
2: hydrogen / 11 h / 20 °C
View Scheme

4,6-dichloro-5-[(E)-2-(4-phenyl)diazenyl]-2-(propylsulfanyl)pyrimidine

A

145783-15-9

4,6-dichloro-2-(propylsulfanyl)-5-pyrimidinamine

B

C19H18ClN5S

Conditions
ConditionsYield
With hydrogen; platinum on carbon In methanol; isopropyl alcohol at 20℃; under 4500.45 Torr; for 32h;
145783-12-6

4,6-dihydroxy-2-(propylsulfanyl)pyrimidine

145783-15-9

4,6-dichloro-2-(propylsulfanyl)-5-pyrimidinamine

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: sodium acetate; sodium hydroxide / ethanol; water / 20 °C
1.2: 0.5 h / 0 °C
1.3: 0 - 5 °C
2.1: pyridine; trichlorophosphate / toluene / 4.75 h / 70 °C
3.1: ammonium formate; zinc / methanol; isopropyl alcohol / 0.33 h
4.1: hydrogen / 11 h / 20 °C
View Scheme
Multi-step reaction with 3 steps
1: nitric acid; acetic acid / 55 °C
2: trichlorophosphate / N,N-dimethyl acetamide / Reflux
3: ammonia
View Scheme
Multi-step reaction with 3 steps
1: nitric acid; acetic acid / 2 h / Cooling with ice
2: dmap; trichlorophosphate / 5 h / Reflux
3: iron; acetic acid / methanol / 2 h / Reflux
View Scheme
376608-72-9

4,6-dihydroxy-5-((E)-2-(4-methylphenyl)diazenyl)-2-(propylsulfanyl)pyrimidine

145783-15-9

4,6-dichloro-2-(propylsulfanyl)-5-pyrimidinamine

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: pyridine; trichlorophosphate / toluene / 4.75 h / 70 °C
2: ammonium formate; zinc / methanol; isopropyl alcohol / 0.33 h
3: hydrogen / 11 h / 20 °C
View Scheme

C14H16Cl2N4S

145783-15-9

4,6-dichloro-2-(propylsulfanyl)-5-pyrimidinamine

Conditions
ConditionsYield
With hydrogen at 20℃; for 11h;
Raw Materials
145783-14-8
Downstream Products
274693-27-5
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    4,6-Dichloro-2-(propylthio)pyrimidin-5-amine CAS No.:145783-15-9 Name 4,6-Dichloro-2-(propylthio)pyrimidin-5-amine Molecular Structure Molecular Formula C7H9Cl2N3S Molecular Weight 238.14

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    Product Name: 4,6-dichloro-2-propylthiopyrimidine-5-amine CAS: 145783-15-9 MF: C7H9Cl2N3S MW: 238.14 EINECS: 808-051-8 Mol File: 145783-15-9.mol 4,6-dichloro-2-propylthiopyrimidine-5-amine Structure 4,6-dichloro-2-propylthiopyrimi

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Specification

The CAS registry number of 5-Pyrimidinamine, 4,6-dichloro-2-(propylthio)- is 145783-15-9. This chemical is also known as 4,6-Dichloro-2-propylthiopyrimidine-5-amine. The molecular formula of it is C7H9Cl2N3S and molecular weight is 238.13746. Its systematic name and IUPAC name are the same which is called 4,6-dichloro-2-(propylsulfanyl)pyrimidin-5-amine.

Physical properties about this chemical are: (1)ACD/LogP: 3.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 942; (6)ACD/BCF (pH 7.4): 942; (7)ACD/KOC (pH 5.5): 4680; (8)ACD/KOC (pH 7.4): 4680; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.615; (13)Molar Refractivity: 57.523 cm3; (14)Molar Volume: 164.803 cm3; (15)Surface Tension: 65.883 dyne/cm; (16)Density: 1.445 g/cm3; (17)Flash Point: 155.828 °C; (18)Enthalpy of Vaporization: 57.697 kJ/mol; (19)Boiling Point: 334.05 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(SCCC)nc(Cl)c1N
(2)InChI: InChI=1/C7H9Cl2N3S/c1-2-3-13-7-11-5(8)4(10)6(9)12-7/h2-3,10H2,1H3
(3)InChIKey: CJJLJBFJNXMANZ-UHFFFAOYAU