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Cas Database |
| Name |
4,6-Dichloro-2-(propylthio)pyrimidin-5-amine |
EINECS | 808-051-8 |
| CAS No. | 145783-15-9 | Density | 1.445 g/cm3 |
| PSA | 77.10000 | LogP | 3.44890 |
| Solubility | 100mg/L at 22℃ | Melting Point |
N/A |
| Formula | C7H9Cl2N3S | Boiling Point | 334.05 °C at 760 mmHg |
| Molecular Weight | 238.141 | Flash Point | 155.828 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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; |
Article Data | 28 |
4,6-Dichloro-2-(propylthio)pyrimidin-5-amine Synthetic route
- 145783-14-8
4,6-dichloro-5-nitro-2-(propylsulfanyl)pyrimidine
- 145783-15-9
4,6-dichloro-2-(propylsulfanyl)-5-pyrimidinamine
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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% |
- 145783-15-9
4,6-dichloro-2-(propylsulfanyl)-5-pyrimidinamine
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine; trichlorophosphate at 75℃; for 4h; Reagent/catalyst; Temperature; | 93% |
| With trichlorophosphate for 24h; Reflux; Large scale; | 90% |
- 145783-15-9
4,6-dichloro-2-(propylsulfanyl)-5-pyrimidinamine
| Conditions | Yield |
|---|---|
| With chlorine In chloroform at 30℃; for 6h; | 88% |
- 145783-15-9
4,6-dichloro-2-(propylsulfanyl)-5-pyrimidinamine
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 |
A
- 145783-15-9
4,6-dichloro-2-(propylsulfanyl)-5-pyrimidinamine
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 |
- 145783-15-9
4,6-dichloro-2-(propylsulfanyl)-5-pyrimidinamine
| Conditions | Yield |
|---|---|
| With hydrogen at 20℃; for 11h; |
4,6-Dichloro-2-(propylthio)pyrimidin-5-amine 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
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