- 2-AMINO-4-γ-DIETHYLAMINOPROPYLAMINO-5,6-DIMETHYLPYRIMIDINE
- 2-Amino-4-(1'-hydroxyethyl)pyridine
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Cas Database |
| Name |
2-Amino-4,6-dihydroxypyrimidine |
EINECS | 200-256-5 |
| CAS No. | 56-09-7 | Density | 1.84 g/cm3 |
| PSA | 92.26000 | LogP | 0.05120 |
| Solubility | Insoluble in water, insoluble in common organic solvent, soluble in alkaline solution. | Melting Point |
>300 °C(lit.) |
| Formula | C4H5N3O2 | Boiling Point | 540.1 °C at 760 mmHg |
| Molecular Weight | 127.103 | Flash Point | 280.4 °C |
| Transport Information | N/A | Appearance | slightly white powder |
| Safety | 24/25-36-26 | Risk Codes | 20/21/22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
2-amino-6-hydroxy-3H-pyrimidin-4-one;2-Amino-4,6-dioxypyrimidine;4(1H)-Pyrimidinone, 2-amino-6-hydroxy-;2-Amino-6-hydroxy-4(1H)-pyrimidinone;2-Amino-4,6-pyrimidinedione;2-Amino-6-hydroxy-1H-pyrimidin-4-one;4,6-Dihydroxy-2-aminopyrimidine; |
Article Data | 17 |
2-Amino-4,6-dihydroxypyrimidine Synthetic route
| Conditions | Yield |
|---|---|
| Stage #1: guanidine nitrate With sodium methylate In ethanol at 5℃; for 0.5h; Stage #2: diethyl malonate In ethanol at 65℃; for 6h; Solvent; Temperature; | 96.1% |
| Stage #1: guanidine nitrate; diethyl malonate With sodium ethanolate In ethanol at 100℃; for 1h; Stage #2: With acetic acid In water pH=5; Temperature; | 83.4% |
- 124-46-9, 20734-13-8, 100224-74-6, 593-85-1
guanidine hydrogen carbonate
- 105-53-3
diethyl malonate
- 56-09-7
2-aminopyrimidine-4,6-diol
| Conditions | Yield |
|---|---|
| In ethanol for 60h; Reflux; | 93% |
| Conditions | Yield |
|---|---|
| With sodium methylate In methanol Reflux; | 85% |
| Conditions | Yield |
|---|---|
| With sodium methylate In methanol at 70 - 75℃; for 5h; | 82% |
| With sodium In ethanol for 3h; Reflux; | 79.3% |
| With sodium carbonate In water at 60℃; for 0.5h; Reagent/catalyst; Sonication; | 55% |
| With sodium ethanolate In ethanol | |
| Stage #1: guanidine hydrochloride With sodium methylate at 90℃; for 0.166667h; Stage #2: diethyl malonate In methanol for 0.666667h; Temperature; |
| Conditions | Yield |
|---|---|
| With sodium methylate In methanol at 70℃; for 5h; | 82% |
- 79-17-4
aminoguanidine
- 13937-08-1
2-hydroxy-malonic acid diethyl ester
- 56-09-7
2-aminopyrimidine-4,6-diol
- 141-82-2
malonic acid
- 57-13-6
urea
A
- 4425-67-6
2-aminopyrimidine-4,6-diol
B
- 873-83-6
4-Amino-2,6-dihydroxypyrimidine
C
- 67-52-7
BARBITURIC ACID
D
- 56032-78-1
2,4,6-trioxo-hexahydro-pyrimidine-5-carboxylic acid amide
F
- 56-09-7
2-aminopyrimidine-4,6-diol
G
- 2345-56-4
Malonamic acid
| Conditions | Yield |
|---|---|
| at 60 - 85℃; for 72h; |
| Conditions | Yield |
|---|---|
| Stage #1: 2,4-Dinitroanilin With hydrogenchloride; sodium nitrite In water at 0℃; for 0.5h; Stage #2: 2-aminopyrimidine-4,6-diol With sodium hydroxide In water | 100% |
| Conditions | Yield |
|---|---|
| With triethylamine; trichlorophosphate at 40 - 90℃; for 2h; | 98.8% |
| With bis(trichloromethyl) carbonate In toluene at 70 - 75℃; for 6h; Reagent/catalyst; Temperature; Solvent; | 92% |
| With thionyl chloride for 4h; Reagent/catalyst; Temperature; Reflux; | 92.7% |
| Conditions | Yield |
|---|---|
| In dimethyl sulfoxide at 100 - 110℃; for 0.333333h; | 98% |
2-Amino-4,6-dihydroxypyrimidine Specification
The 2-Amino-4,6-dihydroxypyrimidine with the cas number 56-09-7. It is also called 2-Amino-4-hydroxy-1H-pyrimidin-6-one name by IUPAC. It belongs to the following product categories: (1)Pyrimidine; (2)Pyridines; (3)Pyrimidines; (4)Purines and Pteredines; (5)Nucleotides and Nucleosides; (6)5-FOA; (7)Bases & Related Reagents; (8)Nucleotides. 2-Amino-4,6-dihydroxypyrimidine seem like white amorphous powder. It is water- absorpted in moist atmosphere.
Properties of 2-Amino-4-chloro-6-methylpyrimidine are: (1)ACD/LogP: -1.23 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -2.02 ; (4)ACD/LogD (pH 7.4): -3.77 ; (5)ACD/BCF (pH 5.5): 1 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 1 ; (8)ACD/KOC (pH 7.4): 1 ; (9)#H bond acceptors: 5 ; (10)#H bond donors: 4 ; (11)#Freely Rotating Bonds: 1 ; (12)Polar Surface Area: 45.14 Å2 ; (13)Index of Refraction: 1.752 ; (14)Molar Refractivity: 28.15 cm3 ; (15)Molar Volume: 68.9 cm3 ; (16)Polarizability: 11.16 ×10-24cm3 ; (17)Surface Tension: 89.4 dyne/cm ; (18)Density: 1.84 g/cm3 ; (19)Flash Point: 280.4 °C ; (20)Enthalpy of Vaporization: 84.83 kJ/mol ; (21)Boiling Point: 540.1 °C at 760 mmHg ; (22)Vapour Pressure: 2.81E-12 mmHg at 25°C
Uses of 2-Amino-4-chloro-6-methylpyrimidine are: It can be used for a kind of important pharmaceutical intermediates, especially as an intermediate of Bensulfuron methyl and Pyrazosulfuron-ethyl. In addtion, it can be used as reactant in many reaction. For instance, it can react with diacetoxy-phenyl-l3-iodane for reaction to get 2-amino-5-phenyliodonio(1H,5H)pyrimidine-4,6-dione.
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When you are using this chemical, please be cautious about it as the following: It is quite irritating to eyes, respiratory system and skin. When you are using this chemical, please wear suitable gloves and eye/face protection to avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, Do not breathe dust, because it is quite harmful by inhalation, in contact with skin and if swallowed.
You can still convert the following datas into molecular structure :
1.SMILES:O=C1/C=C(/O)\N=C(\N)N1
2.InChI:InChI=1/C4H5N3O2/c5-4-6-2(8)1-3(9)7-4/h1H,(H4,5,6,7,8,9)
Toxic information of 2-Amino-4-chloro-6-methylpyrimidine can be showed as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LC | inhalation | > 5200mg/m3/4H (5200mg/m3) | National Technical Information Service. Vol. OTS0556385, | |
| rat | LD50 | oral | > 11gm/kg (11000mg/kg) | National Technical Information Service. Vol. OTS0556385, |
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