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| CAS No.: | 10325-70-9 |
|---|---|
| Name: | 1-(5-Pyrimidinyl)ethanone |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C6H6N2O |
| Molecular Weight: | 122.126 |
| Synonyms: | Ketone,methyl 5-pyrimidinyl (7CI,8CI);1-Pyrimidin-5-ylethanone;5-Acetylpyrimidine; |
| Density: | 1.136 g/cm3 |
| Melting Point: | 87-88 °C |
| Boiling Point: | 224.5 °C at 760 mmHg |
| Flash Point: | 92.1 °C |
| Appearance: | white powder |
| Safety: | 24/25 |
| PSA: | 42.85000 |
| LogP: | 0.67920 |
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- 47087-37-6Z-D-Glu-OMe
- 1219080-61-1IMIDAZOLE-2-BORONIC ACID
- 79691-74-0
5-(α-hydroxyethyl)pyrimidine
- 10325-70-9
1-(pyrimidin-5-yl)ethan-1-one
| Conditions | Yield |
|---|---|
| With manganese(IV) oxide In dichloromethane for 3h; | 73% |
| With dipyridinium dichromate; 4 A molecular sieve; acetic acid In dichloromethane at 20℃; for 0.333333h; | 67% |
- 4595-59-9
5-bromopyrimidine
- 78191-00-1
N-Methoxy-N-methylacetamide
- 10325-70-9
1-(pyrimidin-5-yl)ethan-1-one
| Conditions | Yield |
|---|---|
| Stage #1: 5-bromopyrimidine With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5h; Stage #2: N-Methoxy-N-methylacetamide In tetrahydrofuran; hexane at -78 - 0℃; | 45% |
| Stage #1: 5-bromopyrimidine With n-butyllithium In tetrahydrofuran at -78℃; for 0.5h; Stage #2: N-Methoxy-N-methylacetamide In tetrahydrofuran at -78℃; for 1h; | 175 mg |
- 60025-06-1
1-(4,6-dichloropyrimidine-5-yl)ethane-1-one
- 10325-70-9
1-(pyrimidin-5-yl)ethan-1-one
| Conditions | Yield |
|---|---|
| With hydrogen; magnesium oxide; palladium on activated charcoal In ethanol for 8h; | 34% |
- 693-98-1
2-methylimidazole
B
- 10325-70-9
1-(pyrimidin-5-yl)ethan-1-one
| Conditions | Yield |
|---|---|
| In dimethyl sulfoxide at 24.9℃; Equilibrium constant; |
- 789-24-2
9-Phenylfluorene
A
- 27839-58-3
potassium 9-phenylfluorenide
B
- 10325-70-9
1-(pyrimidin-5-yl)ethan-1-one
| Conditions | Yield |
|---|---|
| In dimethyl sulfoxide at 24.9℃; Equilibrium constant; |
- 10070-92-5
pyrimidine-5-carbaldehyde
- 10325-70-9
1-(pyrimidin-5-yl)ethan-1-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 67 percent / diethyl ether / 1 h / 20 °C 2: 67 percent / molecular sieves 4 Angstroem; pyridinium dichromate; HOAc / CH2Cl2 / 0.33 h / 20 °C View Scheme |
- 60025-05-0
4,6-dichloro-5-(α-hydroxyethyl)pyrimidine
- 10325-70-9
1-(pyrimidin-5-yl)ethan-1-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 79 percent / H2, MgO / 10percent Pd/C / ethanol / 12 h / Heating 2: 73 percent / MnO2 / CH2Cl2 / 3 h View Scheme |
- 397323-70-5
(2-amino-3-bromophenyl)methanol
- 10325-70-9
1-(pyrimidin-5-yl)ethan-1-one
| Conditions | Yield |
|---|---|
| Stage #1: (2-amino-3-bromophenyl)methanol With manganese(IV) oxide In ethanol at 80℃; for 1h; Sealed tube; Inert atmosphere; Stage #2: 1-(pyrimidin-5-yl)ethan-1-one With potassium hydroxide In ethanol at 0℃; for 1h; Friedlaender Quinoline Synthesis; Inert atmosphere; Sealed tube; | 88% |
- 10325-70-9
1-(pyrimidin-5-yl)ethan-1-one
B
- 349493-40-9
(E)-1-(pyrimidin-5-yl)-ethanone oxime
| Conditions | Yield |
|---|---|
| With hydroxylamine hydrochloride; sodium hydrogencarbonate In benzene for 2h; Heating; | A n/a B 78% |
| Conditions | Yield |
|---|---|
| With potassium phosphate; palladium diacetate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In tetrahydrofuran; 1,4-dioxane; toluene at 100℃; for 18h; | 76% |
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Specification
The 1-(5-Pyrimidinyl)ethanone with the cas number 10325-70-9, is also called (1)1-(5-Pyrimidinyl)-ethanone ; (2)1-(Pyrimidin-5-yl)ethanone ; (3)ethanone, 1-(5-pyrimidinyl)- ; (4)1-(Pyrimidin-5-yl)ethan-1-one ; (5)5-Acetylpyrimidine. It belongs to the following product categories:(1)Acetylgroup; (2)Pyrimidine.
Physical properties about this chemical are: (1)ACD/LogP: -0.89 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -0.89 ; (4)ACD/LogD (pH 7.4): -0.89 ; (5)ACD/BCF (pH 5.5): 1 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 7.85 ; (8)ACD/KOC (pH 7.4): 7.85 ; (9)#H bond acceptors: 3 ; (10)#H bond donors: 0 ; (11)#Freely Rotating Bonds: 1 ; (12)Polar Surface Area: 42.85Å2 ; (13)Index of Refraction: 1.516 ; (14)Molar Refractivity: 32.46 cm3 ; (15)Molar Volume: 107.4 cm3 ; (16)Polarizability: 12.86 ×10-24cm3 ; (17)Surface Tension: 46.6 dyne/cm ; (18)Density: 1.136 g/cm3 ; (19)Flash Point: 92.1 °C ; (20)Enthalpy of Vaporization: 46.1 kJ/mol ; (21)Boiling Point: 224.5 °C at 760 mmHg ; (22)Vapour Pressure: 0.0909 mmHg at 25°C
You can still convert the following datas into molecular structure :
(1) SMILES: O=C(c1cncnc1)C
(2) InChI:InChI=1/C6H6N2O/c1-5(9)6-2-7-4-8-3-6/h2-4H,1H3