ChemicalBook--->CAS DataBase List--->112914-13-3

112914-13-3

112914-13-3 Structure

112914-13-3 Structure
IdentificationBack Directory
[Name]

4-[(4-Fluorophenyl)methyl]-2-morpholinemethanamine
[CAS]

112914-13-3
[Synonyms]

2-Aminoethy-4-(4-Fluorobenzyl)-morpholine
2-Aminomethy-4-(4-fluorobenzyl)morpholine
(4-(4-Fluorobenzyl)Morpholin-2-yl)MethanaMine
2-Aminomethy-4-(4-fluorobenzyl)morpholine, >=98%
4-[(4-Fluorophenyl)methyl]-2-morpholinemethamine
4-[(4-Fluorophenyl)methyl]-2-morpholinemethanamine
2-Morpholinemethanamine,4-[(4-fluorophenyl)methyl]-
[4-[(4-fluorophenyl)methyl]-2-morpholinyl]methanamine
{4-[(4-fluorophenyl)Methyl]Morpholin-2-yl}MethanaMine
2-(AminoMethyl)-4-(4-FluoroBenzyl)Morpholine,Mosapride
C-[4-(4-FLUORO-BENZYL)-MORPHOLIN-2-YL]-METHYLAMINE DIHYDROCHLORIDE
2-(Aminomethyl)-4-(4-fluorobenzyl)morpholine, 1-{[2-(Aminomethyl)morpholin-4-yl]methyl}-4-fluorobenzene
[Molecular Formula]

C12H17FN2O
[MDL Number]

MFCD09029017
[MOL File]

112914-13-3.mol
[Molecular Weight]

224.27
Chemical PropertiesBack Directory
[Boiling point ]

317.4±27.0 °C(Predicted)
[density ]

1.145±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

Oil
[pka]

9.37±0.29(Predicted)
[color ]

Pale Yellow to Light Yellow
[InChI]

InChI=1S/C12H17FN2O/c13-11-3-1-10(2-4-11)8-15-5-6-16-12(7-14)9-15/h1-4,12H,5-9,14H2
[InChIKey]

JHSPPBBJOLKJDH-UHFFFAOYSA-N
[SMILES]

N1(CC2=CC=C(F)C=C2)CCOC(CN)C1
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[HS Code ]

2934999090
Hazard InformationBack Directory
[Chemical Properties]

Clear Pale Yellow Oil
[Uses]

Mosapride intermediate.
[Synthesis]

N-(2,3-EPOXYPROPYL)PHTHALIMIDE

5455-98-1

2-(4-FLUOROBENZYLAMINO)ETHANOL

22116-33-2

4-[(4-Fluorophenyl)methyl]-2-morpholinemethanamine

112914-13-3

General procedure for the synthesis of 2-aminomethyl-4-(4-fluorobenzyl)-morpholine from N-(2,3-epoxypropyl)phthalimide and 2-(4-fluorobenzylamino)ethanol: 2-(4-fluorobenzylamino)ethanol (28.7 g, 0.17 mol) and N-(2,3-epoxypropyl)phthalimide (35.0 g, 0.13 mol) were added to the reaction kettle. The reaction was heated to 70-80°C and held for 3 hours. Subsequently, sulfuric acid was slowly added dropwise at 70-90°C and the reaction was continued at 125-145°C for 2.5 hours. Upon completion of the reaction, the mixture was transferred to cold water, cooled to 0°C, crystallized and filtered. The filtrate was neutralized with sodium hydroxide, extracted with chloroform, dried the organic phase and concentrated to dryness to give 4-(4-fluorobenzyl)-2-aminomethylmorpholine as a light yellow oil (yield: 75.1%, purity: 80.2%).

[References]

[1] Patent: CN108341788, 2018, A. Location in patent: Paragraph 0074; 0075; 0076
[2] Chemical and Pharmaceutical Bulletin, 1996, vol. 44, # 8, p. 1484 - 1492
[3] Patent: CN108129414, 2018, A. Location in patent: Paragraph 0050; 0053; 0054
Spectrum DetailBack Directory
[Spectrum Detail]

4-[(4-Fluorophenyl)methyl]-2-morpholinemethanamine(112914-13-3)1HNMR
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