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4-Phenyl-3-morpholinone

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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 Molecular Structure of 29518-11-4 (3-Morpholinone, 4-phenyl-) Hazard Symbols N/A
Synonyms

4-phenylmorpholin-3-one;

Article Data 22

4-Phenyl-3-morpholinone Synthetic route

2-(2-chloroethoxy)-N-phenylacetamide

29518-11-4

4-phenyl-3-morpholinone

Conditions
ConditionsYield
With potassium carbonate In acetonitrile for 6h; Solvent; Reflux;97%
92-53-5

4-Phenylmorpholine

29518-11-4

4-phenyl-3-morpholinone

Conditions
ConditionsYield
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%
79-04-9

chloroacetyl chloride

122-98-5

2-Anilinoethanol

29518-11-4

4-phenyl-3-morpholinone

Conditions
ConditionsYield
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%

2-(2-((methylsulfonyl)oxy)ethoxy)-N-phenylacetamide

29518-11-4

4-phenyl-3-morpholinone

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 8h;85%
109-11-5

morpholine-3-one

591-50-4

iodobenzene

29518-11-4

4-phenyl-3-morpholinone

Conditions
ConditionsYield
With caesium carbonate at 120℃; for 14h; Goldberg Reaction; Schlenk technique; Inert atmosphere;85%
105-39-5

chloroacetic acid ethyl ester

122-98-5

2-Anilinoethanol

29518-11-4

4-phenyl-3-morpholinone

Conditions
ConditionsYield
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%

2-(2-((benzenesulfonyl)oxy)ethoxy)-N-phenylacetamide

29518-11-4

4-phenyl-3-morpholinone

Conditions
ConditionsYield
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
ConditionsYield
With ozone In acetonitrile at 25℃; for 24h; Mechanism; Solvent; Temperature; regioselective reaction;A 46%
B 8%
105-39-5

chloroacetic acid ethyl ester

sodium-<2-anilino ethylate>

sodium-<2-anilino ethylate>

29518-11-4

4-phenyl-3-morpholinone

Conditions
ConditionsYield
With toluene
103-84-4

Acetanilid

29518-11-4

4-phenyl-3-morpholinone

Conditions
ConditionsYield
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

4-Phenyl-3-morpholinone 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

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