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| CAS No.: | 29518-11-4 |
|---|---|
| Name: | 3-Morpholinone, 4-phenyl- |
| Article Data: | 22 |
| Molecular Structure: | |
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| Formula: | C10H11NO2 |
| Molecular Weight: | 177.203 |
| Synonyms: | 4-phenylmorpholin-3-one; |
| Density: | 1.187 g/cm3 |
| Melting Point: | 113-114 °C |
| Boiling Point: | 395.2 °C at 760 mmHg |
| Flash Point: | 192.8 °C |
| PSA: | 29.54000 |
| LogP: | 1.11480 |
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- 852475-26-4MC1568
- 29518-11-4
4-phenyl-3-morpholinone
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetonitrile for 6h; Solvent; Reflux; | 97% |
- 92-53-5
4-Phenylmorpholine
- 29518-11-4
4-phenyl-3-morpholinone
| Conditions | Yield |
|---|---|
| Stage #1: 4-Phenylmorpholine With sodium dihydrogenphosphate; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical In acetonitrile at 0℃; for 0.0833333h; Stage #2: With sodium hypochlorite; sodium chlorite In water; acetonitrile | 90% |
| With potassium permanganate; N-benzyl-N,N,N-triethylammonium chloride In dichloromethane for 6h; phase transfer oxidation; Heating; | 45% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide In ethanol; water at 0 - 38℃; for 2h; pH=12 - 12.5; | 89% |
| With sodium hydroxide In ethanol; water at 2 - 43℃; pH=12 - 12.5; | 80% |
| With sodium hydroxide In ethanol; water at 38 - 45℃; for 0.5h; pH=10 - 13; Industry scale; | 68% |
- 29518-11-4
4-phenyl-3-morpholinone
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 8h; | 85% |
| Conditions | Yield |
|---|---|
| With caesium carbonate at 120℃; for 14h; Goldberg Reaction; Schlenk technique; Inert atmosphere; | 85% |
| Conditions | Yield |
|---|---|
| With potassium tert-butylate In tetrahydrofuran at 38℃; for 16h; Inert atmosphere; | 83% |
| With potassium 2-methylpropan-2-olate In tetrahydrofuran at 25℃; for 16h; | 62% |
- 29518-11-4
4-phenyl-3-morpholinone
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 8h; | 81% |
- 92-53-5
4-Phenylmorpholine
A
- 29518-11-4
4-phenyl-3-morpholinone
B
- 13238-43-2
2-(N-phenylformamido)ethyl formate
| Conditions | Yield |
|---|---|
| With ozone In acetonitrile at 25℃; for 24h; Mechanism; Solvent; Temperature; regioselective reaction; | A 46% B 8% |
- 105-39-5
chloroacetic acid ethyl ester
- 29518-11-4
4-phenyl-3-morpholinone
| Conditions | Yield |
|---|---|
| With toluene |
- 103-84-4
Acetanilid
- 29518-11-4
4-phenyl-3-morpholinone
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: nitric acid; acetic acid; sulfuric acid / 2 h / 0 - 25 °C 2: potassium carbonate / tetrahydrofuran / 4 h / 0 - 55 °C 3: potassium carbonate / acetonitrile / 6 h / Reflux View Scheme |
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Specification
The 3-Morpholinone,4-phenyl-, with the CAS registry number 29518-11-4, has the systematic name of 4-phenylmorpholin-3-one. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C10H11NO2.
The characteristics of 3-Morpholinone,4-phenyl- are as followings: (1)ACD/LogP: 0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.61; (4)ACD/LogD (pH 7.4): 0.61; (5)ACD/BCF (pH 5.5): 1.72; (6)ACD/BCF (pH 7.4): 1.72; (7)ACD/KOC (pH 5.5): 51.39; (8)ACD/KOC (pH 7.4): 51.39; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 48.19 cm3; (15)Molar Volume: 149.2 cm3; (16)Polarizability: 19.1×10-24cm3; (17)Surface Tension: 44.8 dyne/cm; (18)Density: 1.187 g/cm3; (19)Flash Point: 192.8 °C; (20)Enthalpy of Vaporization: 64.53 kJ/mol; (21)Boiling Point: 395.2 °C at 760 mmHg; (22)Vapour Pressure: 1.87E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C2N(c1ccccc1)CCOC2
(2)InChI: InChI=1/C10H11NO2/c12-10-8-13-7-6-11(10)9-4-2-1-3-5-9/h1-5H,6-8H2
(3)InChIKey: SIWXCJHUZAEIAE-UHFFFAOYAF