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Cas Database |
| Name |
2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride |
EINECS | 433-170-3 |
| CAS No. | 56830-58-1 | Density | N/A |
| PSA | 118.02000 | LogP | 0.60430 |
| Solubility | N/A | Melting Point |
>300 °C |
| Formula | C4H6N4O2.HCl | Boiling Point | 490 °C at 760 mmHg |
| Molecular Weight | 178.578 | Flash Point | 250.1 °C |
| Transport Information | N/A | Appearance | orange-pink powder |
| Safety | 37/39-26 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
2,5-Diamino-2,6-dihydroxypyridine hydrochloride;2,5-Diamino-4,6-dihydroxy pyrimidine HCl. (DADHP HCl );2,5-Diamino-4,6-Dihydroxypyrimidine HCl; |
Article Data | 2 |
2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride Synthetic route
- 56830-58-1
2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water at 270℃; for 2h; Inert atmosphere; | 49% |
- 56830-58-1
2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride
- 56893-25-5
methyl 4-(2-bromoacetyl)benzoate
- 85828-45-1
4-(2-Amino-4-oxo-3,7-dihydro-4H-pyrimido[4,5-b][1,4]oxazin-6-yl)-benzoic acid methyl ester
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate In methanol for 2h; Heating; | 94% |
- 10516-71-9
3-(3-Methoxy-phenyl)-propionic acid
- 56830-58-1
2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride
- 1245319-69-0
N-(2-amino-4,6-dihydroxypyrimidin-5-yl)-3-(3-methoxyphenyl)propanamide
| Conditions | Yield |
|---|---|
| Stage #1: 3-(3-Methoxy-phenyl)-propionic acid With thionyl chloride for 1h; Reflux; Stage #2: 2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride With sodium hydroxide In 1,4-dioxane; water at 0 - 20℃; for 1h; | 87% |
| Stage #1: 3-(3-Methoxy-phenyl)-propionic acid With thionyl chloride for 1h; Reflux; Stage #2: 2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride With sodium hydroxide In 1,4-dioxane at 0 - 20℃; for 1h; | 87% |
- 40478-49-7
3-(3-methoxyphenyl)propanoyl chloride
- 56830-58-1
2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride
- 1245319-69-0
N-(2-amino-4,6-dihydroxypyrimidin-5-yl)-3-(3-methoxyphenyl)propanamide
| Conditions | Yield |
|---|---|
| With sodium hydroxide In 1,4-dioxane; water at 0 - 20℃; for 1h; | 87% |
- 56830-58-1
2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride
- 55583-59-0
2,5-diamino-4,6-dichloropyrimidine
| Conditions | Yield |
|---|---|
| Stage #1: 2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride With tetramethlyammonium chloride; trichlorophosphate In 1,2,3-trichloropropane at 115℃; for 24h; Stage #2: With sodium hydroxide In 1,2,3-trichloropropane; water at 50 - 60℃; for 0.5h; pH=6.5 - 7.0; | 65% |
| With tetraethylammonium chloride; trichlorophosphate at 105℃; for 20h; | 64% |
| With tetraethylammonium chloride; trichlorophosphate at 105℃; for 20h; | 64% |
- 40215-83-6
N-ethyl-N-methyl piperidinium chloride
- 56830-58-1
2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride
- 55583-59-0
2,5-diamino-4,6-dichloropyrimidine
| Conditions | Yield |
|---|---|
| With trichlorophosphate | 65% |
- 56830-58-1
2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride
- 85828-56-4
4-(3-Bromo-2-oxo-propyl)-benzoic acid methyl ester
- 85828-57-5
2-amino-4-hydroxy-6-(p-carbomethoxybenzyl)-7,8-dihydro-8-oxapteridine
| Conditions | Yield |
|---|---|
| With magnesium oxide In methanol for 4h; Heating; | 50% |
- 56830-58-1
2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride
- 68-12-2, 33513-42-7
N,N-dimethyl-formamide
- 171887-03-9
N-(2-amino-4,6-dichloropyrimidin-5-yl)formamide
| Conditions | Yield |
|---|---|
| Stage #1: N,N-dimethyl-formamide With trichlorophosphate at 50℃; for 0.75h; Stage #2: 2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride at 70 - 90℃; for 17.45 - 20.45h; Stage #3: With sodium hydroxide; water at 20 - 97℃; for 4 - 8h; pH=0.5 - 4.0; Product distribution / selectivity; | 37.4% |
- 56830-58-1
2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride
- 85828-53-1
diethyl N--L-glutamate
- 85828-54-2
diethyl N-<<(2-amino-4-hydroxy-7,8-dihydro-8-oxa-6-pteridinyl)methyl>benzoyl>-L-glutamate
| Conditions | Yield |
|---|---|
| With magnesium oxide In methanol for 3h; Heating; | 30% |
- 937-38-2
1-chloro-3-phenylpropan-2-one
- 56830-58-1
2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride
- 70080-71-6
2-amino-6-benzyl-3,7-dihydro-pyrimido[4,5-b][1,4]oxazin-4-one
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate In ethanol Heating; |
2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride Chemical Properties
Molecular Structure of 2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride (CAS NO.56830-58-1):
.gif)
Molecular Formula: C4H7ClN4O2
Molecular Weight: 178.58
EINECS: 433-170-3
ACD/LogP: -2.65
of Rule of 5 Violations: 1
ACD/LogD (pH 5.5): -3.82
ACD/LogD (pH 7.4): -4.94
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1
ACD/KOC (pH 7.4): 1
H bond acceptors: 6
H bond donors: 6
Freely Rotating Bonds: 2
Polar Surface Area: 48.38 Å2
Flash Point: 250.1 °C
Enthalpy of Vaporization: 78.51 kJ/mol
Boiling Point: 490 °C at 760 mmHg
Vapour Pressure: 3.18E-10 mmHg at 25°C
Product Categories: APIs & Intermediate; Pyrimidine; Amines
2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride Safety Profile
Hazard Codes: 
Xi
Risk Statements information:
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements information:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
37/39: Wear suitable gloves and eye/face protection
2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride Specification
2,5-Diamino-4,6-Dihydroxypyrimidine hydrochloride (CAS NO.56830-58-1) is also named as 2,5-Dibromo-4-picoline ; 2,5-Dibromo-4-methylpyridine ; 2,5-diamino-6-hydroxy-3h-pyrimidin-4-one hydrochloride ; 2,5-Diamino-2,6-dihydroxypyridine hydrochloride and so on. It is usually a white crystalline, commonly used as organic reagents, pharmaceutical intermediates and so on.
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