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| CAS No.: | 1468-28-6 |
|---|---|
| Name: | 4-Benzoylmorpholine |
| Molecular Structure: | |
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| Formula: | C11H13 N O2 |
| Molecular Weight: | 191.23 |
| Synonyms: | Morpholine,4-benzoyl- (7CI,8CI,9CI); 4-Benzoylmorpholine; Benzoic acid, morpholide;Benzoic morpholide; Benzomorpholide; N-Benzoylmorpholine; NSC 3129 |
| Density: | 1.154g/cm3 |
| Melting Point: | 73.5-74.0 °C |
| Boiling Point: | 339.1°C at 760 mmHg |
| Flash Point: | 158.9°C |
| PSA: | 29.54000 |
| LogP: | 1.09690 |
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| Conditions | Yield |
|---|---|
| In dichloromethane for 0.5h; Ambient temperature; | 100% |
| Conditions | Yield |
|---|---|
| With pyridine In dichloromethane at 0 - 20℃; | 99% |
| With triethylamine In dichloromethane at 20℃; Inert atmosphere; | 99% |
| With Fe3O4-supported (diisopropylamino)acetamide In dichloromethane at 25℃; | 98% |
| Conditions | Yield |
|---|---|
| Stage #1: morpholine With samarium(III) chloride; lithium hexamethyldisilazane In tetrahydrofuran at 20℃; for 0.25h; Stage #2: benzoic acid methyl ester In tetrahydrofuran at 0℃; | 99% |
| With 14C2H2F3O(1-)*6C4H8O*La2Na8(14+) at 80℃; for 6h; Inert atmosphere; | 99% |
| With [(DABCO)(AlMe3)2] In tetrahydrofuran at 130℃; for 0.0833333h; microwave irradiation; | 98% |
| Conditions | Yield |
|---|---|
| With dipotassium hydrogenphosphate; palladium; potassium iodide In 1,4-dioxane at 130℃; under 3750.38 Torr; for 12h; Pressure; Autoclave; Green chemistry; | 99% |
| With potassium carbonate In toluene at 120℃; for 8h; | 98% |
| With triethylamine In toluene at 100℃; under 3750.38 Torr; for 8h; Inert atmosphere; | 93% |
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 2h; | 99% |
| Conditions | Yield |
|---|---|
| In dichloromethane at 20℃; for 48h; | 98% |
| Conditions | Yield |
|---|---|
| With dmap; triethylamine In tetrahydrofuran at 45℃; for 13h; Inert atmosphere; | 98% |
| Conditions | Yield |
|---|---|
| With tert.-butylhydroperoxide; calcium carbonate In water; acetonitrile at 80℃; for 4h; | 98% |
| With tert.-butylhydroperoxide In water; acetonitrile at 80℃; for 8h; Catalytic behavior; Reagent/catalyst; Inert atmosphere; | 93% |
| With tert.-butylhydroperoxide; (PhGeO2)12Cu2Fe5(O)OH(PhGe)2O5(2,2'-bipyridine)2; calcium carbonate In nonane; acetonitrile at 80℃; for 24h; Catalytic behavior; Sealed tube; | 82% |
| Conditions | Yield |
|---|---|
| In acetonitrile at 20℃; for 15h; Inert atmosphere; Schlenk technique; | 98% |
| With triethylamine In dichloromethane at 23℃; for 15h; Inert atmosphere; Schlenk technique; | 95% |
| Conditions | Yield |
|---|---|
| In acetonitrile at 20℃; for 15h; Inert atmosphere; Schlenk technique; | 98% |
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Chemistry
Molecule structure of 4-Benzoylmorpholine (CAS NO.1468-28-6):
IUPAC Name: Morpholin-4-yl(phenyl)methanone
Molecular Weight: 191.22642 [g/mol]
Molecular Formula: C11H13NO2
Index of Refraction: 1.556
Molar Refractivity: 53.26 cm3
Molar Volume: 165.5 cm3
Surface Tension: 43.9 dyne/cm
Density: 1.154 g/cm3
Flash Point: 158.9 °C
Enthalpy of Vaporization: 58.26 kJ/mol
Boiling Point: 339.1 °C at 760 mmHg
Vapour Pressure: 9.37E-05 mmHg at 25 °C
XLogP3: 0.2
H-Bond Acceptor: 2
Rotatable Bond Count: 1
Exact Mass: 191.094629
MonoIsotopic Mass: 191.094629
Topological Polar Surface Area: 29.5
Heavy Atom Count: 14
Canonical SMILES: C1COCCN1C(=O)C2=CC=CC=C2
InChI: InChI=1S/C11H13NO2/c13-11(10-4-2-1-3-5-10)12-6-8-14-9-7-12/h1-5H,6-9H2
InChIKey of 4-Benzoylmorpholine (CAS NO.1468-28-6): FLCWYEUDIOQXEB-UHFFFAOYSA-N
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 1070mg/kg (1070mg/kg) | Biochemical Pharmacology. Vol. 11, Pg. 651, 1962. |
Specification
4-Benzoylmorpholine (CAS NO.1468-28-6) is also named as 4-27-00-00280 (Beilstein Handbook Reference) ; AI3-03344 ; BRN 0148023 ; Benzoic acid, morpholide ; Benzomorpholide ; Morpholine, N-benzoyl- ; N-Benzoyl morpholine ; N-Benzoylmorpholine ; NSC 3129 ; Morpholine, 4-benzoyl- .