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287930-73-8

Basic Information
CAS No.: 287930-73-8
Name: 4-BENZYL-2-HYDROXY-MORPHOLIN-3-ONE
Article Data: 5
Molecular Structure:
Molecular Structure of 287930-73-8 (4-BENZYL-2-HYDROXY-MORPHOLIN-3-ONE)
Formula: C11H13NO3
Molecular Weight: 207.229
Synonyms: 4-benzyl-2-hydroxy-morpholin-3-one;
EINECS: 811-794-0
Density: 1.292 g/cm3
Melting Point: 134.0 to 138.0 °C
Boiling Point: 441.718 °C at 760 mmHg
Flash Point: 220.943 °C
PSA: 49.77000
LogP: 0.30170
Synthetic route
298-12-4

Glyoxilic acid

104-63-2

N-Benzylethanolamine

287930-73-8

4-benzyl-2-hydroxy-morpholin-3-one

Conditions
ConditionsYield
In tetrahydrofuran Reflux;91%
In tetrahydrofuran Reflux;91%
In tetrahydrofuran; water for 21h; Heating;76%
In tetrahydrofuran; water at 60 - 65℃; for 8h; Inert atmosphere;27.5 g
110843-90-8

4-benzyl-morpholine-2,3-dione

287930-73-8

4-benzyl-2-hydroxy-morpholin-3-one

Conditions
ConditionsYield
With L-Selectride88%
With sodium hydroxide; dihydrogen peroxide; L-Selectride In tetrahydrofuran; water at 10℃; for 1h;80%
104-63-2

N-Benzylethanolamine

563-96-2

2,2-dihydroxyacetic acid

287930-73-8

4-benzyl-2-hydroxy-morpholin-3-one

Conditions
ConditionsYield
In tetrahydrofuran; water at 65℃; for 18h;75%
109745-70-2, 19757-97-2

methyl glyoxylate methyl hemi-acetal

104-63-2

N-Benzylethanolamine

287930-73-8

4-benzyl-2-hydroxy-morpholin-3-one

Conditions
ConditionsYield
15%
108228-02-0

Methoxy-(1-methoxy-1-methyl-ethoxy)-acetic acid methyl ester

104-63-2

N-Benzylethanolamine

287930-73-8

4-benzyl-2-hydroxy-morpholin-3-one

Conditions
ConditionsYield
Stage #1: Methoxy-(1-methoxy-1-methyl-ethoxy)-acetic acid methyl ester; N-Benzylethanolamine With sodium hydride In tetrahydrofuran
Stage #2: With hydrogenchloride Further stages.;
104-63-2

N-Benzylethanolamine

(1-ethoxy-ethoxy)-methoxy-acetic acid methyl ester

287930-73-8

4-benzyl-2-hydroxy-morpholin-3-one

Conditions
ConditionsYield
Stage #1: N-Benzylethanolamine; (1-ethoxy-ethoxy)-methoxy-acetic acid methyl ester With sodium hydride In tetrahydrofuran
Stage #2: With hydrogenchloride Further stages.;
104-63-2

N-Benzylethanolamine

287930-73-8

4-benzyl-2-hydroxy-morpholin-3-one

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 88 percent / Li(sec-Bu)3BH
View Scheme
Multi-step reaction with 2 steps
1: 68 percent / ethanol; hexane / 20 °C
2: 80 percent / lithium tri(sec-butyl)borohydride; sodium hydroxide; hydrogen peroxide / tetrahydrofuran; H2O / 1 h / 10 °C
View Scheme
368-63-8, 68120-60-5, 127852-28-2

(R)-[3,5-bis(trifluoromethyl)phenyl]ethanol

287930-73-8

4-benzyl-2-hydroxy-morpholin-3-one

287930-75-0

(2R,2αR)-4-benzyl-2-[1-[3,5-bis(trifluoromethyl)phenyl]]ethoxy-morpholin-3-one

Conditions
ConditionsYield
Stage #1: 4-benzyl-2-hydroxy-morpholin-3-one With trifluoroacetic anhydride In acetonitrile at 5 - 30℃; for 1h;
Stage #2: (R)-[3,5-bis(trifluoromethyl)phenyl]ethanol With boron trifluoride diethyl etherate In acetonitrile for 3h; Further stages;
96%
Stage #1: 4-benzyl-2-hydroxy-morpholin-3-one With trifluoroacetic anhydride In acetonitrile at 5 - 30℃; for 1h;
Stage #2: (R)-[3,5-bis(trifluoromethyl)phenyl]ethanol With boron trifluoride diethyl etherate In acetonitrile for 2h;
Stage #3: With tetrahydrolinalool; potassium tert-butylate In hexane at -10 - -5℃; for 14h; Solvent;
96%
Stage #1: 4-benzyl-2-hydroxy-morpholin-3-one With trifluoroacetic anhydride In acetonitrile at 5℃; for 1h;
Stage #2: (R)-[3,5-bis(trifluoromethyl)phenyl]ethanol With boron trifluoride diethyl etherate In acetonitrile at 25℃; for 4h; Temperature; Reagent/catalyst;
545-06-2

trichloroacetonitrile

287930-73-8

4-benzyl-2-hydroxy-morpholin-3-one

502536-97-2

2,2,2-trichloro-acetimidic acid 4-benzyl-3-oxo-morpholin-2-yl ester

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In n-heptane; toluene at 20℃; for 18h;91%
407-25-0

trifluoroacetic anhydride

287930-73-8

4-benzyl-2-hydroxy-morpholin-3-one

502537-07-7

trifluoro-acetic acid 4-benzyl-3-oxo-morpholin-2-yl ester

Conditions
ConditionsYield
In acetonitrile at 5 - 34℃;
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    Product name: 4-Benzyl-2-Hydroxy-Morpholin-2-One CAS No.: 287930-73-8 Molecule Formula:C11H13NO3 Molecule Weight:207.23 Purity: 99.0% Package: 25kg/drum Description:White powder Manufacture Standards:Enterprise Standard

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    Product Name: 4-BENZYL-2-HYDROXY-MORPHOLIN-3-ONE Synonyms: Aprepitant Impurity 48;Fosaprepitant Impurity 23;4-BENZYL-2-HYDROXY-MORPHOLIN-3-ONE;3-Morpholinone,2-hydroxy-4-(phenylMethyl)-;2-Hydroxy-4-(phenylMethyl)-3-Morpholinone;Fosaprepitant Im

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    4-benzyl-2-hydroxymorpholin-3-one

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Specification

The 3-Morpholinone,2-hydroxy-4-(phenylmethyl)-, with the CAS registry number 287930-73-8, is also known as 2-Hydroxy-4-benzylmorpholin-3-one. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C11H13NO3 and molecular weight is 207.2258. Its systematic name is called 4-benzyl-2-hydroxymorpholin-3-one.

Physical properties of 3-Morpholinone,2-hydroxy-4-(phenylmethyl)-: (1)ACD/LogP: 0.30 ; (2)#H bond acceptors: 4; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 3; (5)Index of Refraction: 1.595; (6)Molar Refractivity: 54.506 cm3; (7)Molar Volume: 160.346 cm3; (8)Surface Tension: 57.361 dyne/cm; (9)Density: 1.292 g/cm3; (10)Flash Point: 220.943 °C; (11)Enthalpy of Vaporization: 73.678 kJ/mol; (12)Boiling Point: 441.718 °C at 760 mmHg; (13)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N(Cc1ccccc1)CCOC2O
(2)InChI: InChI=1/C11H13NO3/c13-10-11(14)15-7-6-12(10)8-9-4-2-1-3-5-9/h1-5,11,14H,6-8H2
(3)InChIKey: CAGSEMPCDRYWFN-UHFFFAOYAC