Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Phenyl-3-morpholinone |
EINECS | N/A |
CAS No. | 29518-11-4 | Density | 1.187 g/cm3 |
PSA | 29.54000 | LogP | 1.11480 |
Solubility | N/A | Melting Point |
113-114 °C |
Formula | C10H11NO2 | Boiling Point | 395.2 °C at 760 mmHg |
Molecular Weight | 177.203 | Flash Point | 192.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-phenylmorpholin-3-one; |
Article Data | 22 |
4-phenyl-3-morpholinone
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile for 6h; Solvent; Reflux; | 97% |
4-Phenylmorpholine
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% |
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% |
4-phenyl-3-morpholinone
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 8h; | 81% |
4-Phenylmorpholine
A
4-phenyl-3-morpholinone
B
2-(N-phenylformamido)ethyl formate
Conditions | Yield |
---|---|
With ozone In acetonitrile at 25℃; for 24h; Mechanism; Solvent; Temperature; regioselective reaction; | A 46% B 8% |
chloroacetic acid ethyl ester
4-phenyl-3-morpholinone
Conditions | Yield |
---|---|
With toluene |
Acetanilid
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 |
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