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Name |
2-Amino-4-chloro-6-methoxypyrimidine |
EINECS | 410-050-9 |
CAS No. | 5734-64-5 | Density | 1.398 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
168-171 °C(lit.) |
Formula | C5H6ClN3O | Boiling Point | 349.357 °C at 760 mmHg |
Molecular Weight | 159.575 | Flash Point | 165.086 °C |
Transport Information | N/A | Appearance | light yellow crystalline powder |
Safety | 22-2 | Risk Codes | 22 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
2-Amino-4-methoxy-6-chloro-pyrimidine;2-Amino-4-methoxy-6-chloro pyrimidine;Pyrimidine, 2-amino-4-chloro-6-methoxy-;2-Pyrimidinamine, 4-chloro-6-methoxy-;2-Amino-4-methoxy-6-chloropyrimidine;4-Chloro-6-methoxy-pyrimidin-2-amine; |
Article Data | 22 |
methanol
2-Amino-4,6-dichloropyrimidine
sodium methylate
2-amino-4-chloro-6-methoxypyrimidine
Conditions | Yield |
---|---|
at 17℃; for 4.5h; Product distribution / selectivity; Heating / reflux; | 97% |
for 20h; Heating / reflux; | 90% |
2-Amino-4,6-dichloropyrimidine
sodium methylate
2-amino-4-chloro-6-methoxypyrimidine
Conditions | Yield |
---|---|
In acetone at 17 - 30℃; for 6.5h; Product distribution / selectivity; | 95.3% |
In acetic acid methyl ester at 17 - 30℃; for 6.5h; Product distribution / selectivity; | 94.6% |
In methanol for 20h; Heating / reflux; | 90% |
Conditions | Yield |
---|---|
With potassium carbonate at 20℃; for 2h; Product distribution / selectivity; Heating / reflux; | 95% |
With sodium methylate In methanol for 20h; Reflux; | 90% |
Stage #1: methanol With sodium hydride In tetrahydrofuran for 0.25h; Inert atmosphere; Stage #2: 2-Amino-4,6-dichloropyrimidine In tetrahydrofuran for 15h; Inert atmosphere; | 84% |
2,4-dichloro-6-methoxypyrimidine
2-amino-4-chloro-6-methoxypyrimidine
Conditions | Yield |
---|---|
With ethanol; ammonia at 100℃; |
2-amino-4-chloro-6-methoxypyrimidine
Conditions | Yield |
---|---|
With trichlorophosphate |
2,4-dichloro-6-methoxypyrimidine
ammonia
2-amino-4-chloro-6-methoxypyrimidine
Conditions | Yield |
---|---|
at 100℃; im Rohr; |
chlorimuron ethyl
A
4-methoxypyrimidin-2-amine
B
2-amino-4-chloro-6-methoxypyrimidine
C
ethyl 2-(aminosulfonyl)benzoate
D
saccharin
Conditions | Yield |
---|---|
With water for 2h; Product distribution; Rate constant; Irradiation; var. pH values; |
2-amino-4-chloro-6-methoxypyrimidine
N-methylaniline
2-amino-6-(N-methylanilino)pyrimidin-4(3H)-one
Conditions | Yield |
---|---|
at 289.84 - 299.84℃; for 0.0666667h; | 97% |
2-amino-4-chloro-6-methoxypyrimidine
Conditions | Yield |
---|---|
Stage #1: 2-amino-4-chloro-6-methoxypyrimidine; C14H9NO6S In acetonitrile at 20℃; for 24h; Stage #2: With sodium hydrogencarbonate | 97% |
Conditions | Yield |
---|---|
With hydrogen; N-ethyl-N,N-diisopropylamine; palladium 10% on activated carbon In ethanol; ethyl acetate for 14h; | 94% |
With hydrogen; N-ethyl-N,N-diisopropylamine; palladium 10% on activated carbon In ethanol; ethyl acetate for 14h; | 90% |
With hydrogen; N-ethyl-N,N-diisopropylamine; palladium 10% on activated carbon In ethanol; ethyl acetate for 14h; | 90% |
The 2-Amino-4-chloro-6-methoxypyrimidine, with the CAS registry number 5734-64-5, is also known as 2-Pyrimidinamine, 4-chloro-6-methoxy-. It belongs to the product categories of Pyridines, Pyrimidines, Purines and Pteredines; Pyrimidine; Pyrimidines; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyrimidines Heterocyclic Building Blocks. Its EINECS registry number is 410-050-9. This chemical's molecular formula is C5H6ClN3O and molecular weight is 159.57. What's more, both its IUPAC name and systematic name are the same which is called 4-Chloro-6-methoxypyrimidin-2-amine. It should be stored in a cool, dry and sealed place. This chemical can be used for intermediates of pharmaceutical and chemical, it is also uesd for synthesis of the pesticide chlorimuron-ethyl.
Physical properties about 2-Amino-4-chloro-6-methoxypyrimidine are: (1)ACD/LogP: 1.035; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.03; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 3.60; (6)ACD/BCF (pH 7.4): 3.60; (7)ACD/KOC (pH 5.5): 87.04; (8)ACD/KOC (pH 7.4): 87.05; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 61.03 Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 38.245 cm3; (15)Molar Volume: 114.114 cm3; (16)Polarizability: 15.162×10-24cm3; (17)Surface Tension: 57.284 dyne/cm; (18)Density: 1.398 g/cm3; (19)Flash Point: 165.086 °C; (20)Enthalpy of Vaporization: 59.384 kJ/mol; (21)Boiling Point: 349.357 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
Uses of 2-Amino-4-chloro-6-methoxypyrimidine: it is used to produce other chemicals. For example, it can react with 2-cyano-3,3-bis-methylsulfanyl-acrylic acid ethyl ester to get 3-(4-chloro-6-methoxy-pyrimidin-2-ylamino)-2-cyano-3-methylsulfanyl-acrylic acid ethyl ester. This reaction needs reagent NaH and solvents N,N-dimethyl-acetamide, toluene at ambient temperature. The yield is 85 %.
When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health and it is harmful if swallowed. You should keep out of the reach of children. And the gas can not be breathed.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1nc(nc(OC)c1)N
(2) InChI: InChI=1S/C5H6ClN3O/c1-10-4-2-3(6)8-5(7)9-4/h2H,1H3,(H2,7,8,9)
(3) InChIKey: VFEYBTFCBZMBAU-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LDLo | oral | 11gm/kg (11000mg/kg) | BEHAVIORAL: TREMOR GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS LUNGS, THORAX, OR RESPIRATION: DYSPNEA | National Technical Information Service. Vol. OTS0540491, |