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4497-04-5

4497-04-5 Structure

4497-04-5 Structure
IdentificationMore
[Name]

3-MORPHOLIN-4-YL-PROPIONIC ACID
[CAS]

4497-04-5
[Synonyms]

AKOS BB-5602
AKOS BBS-00002594
BUTTPARK 145\04-88
TIMTEC-BB SBB010411
RARECHEM AL BO 1512
CHEMBRDG-BB 4010141
4-MORPHOLINEPROPANOIC ACID
4-MORPHOLINEPROPIONIC ACID
3-Morpholin-4-yl-propionicaci
3-MORPHOLIN-4-YLPROPANOIC ACID
3-MORPHOLIN-4-YL-PROPIONIC ACID
3-(4-MORPHOLINYL)PROPIONIC ACID
3-(4-Morpholinyl)propanoic acid
3-morpholin-4-ium-4-ylpropanoate
3-Morpholin-4-Yl-Propionic Acid/6319-95-5
3-Morpholinopropanoic Acid Hydrobromic Salt
3-morpholin-4-ylpropanoic acid(SALTDATA: HCl)
[Molecular Formula]

C7H13NO3
[MDL Number]

MFCD02089311
[Molecular Weight]

159.18
[MOL File]

4497-04-5.mol
Chemical PropertiesBack Directory
[Melting point ]

74-76 °C
[Boiling point ]

174-176 °C(Press: 2 Torr)
[density ]

1.159±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

3.74±0.10(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C7H13NO3/c9-7(10)1-2-8-3-5-11-6-4-8/h1-6H2,(H,9,10)
[InChIKey]

YUYHRSGXZZVNMS-UHFFFAOYSA-N
[SMILES]

N1(CCC(O)=O)CCOCC1
[CAS DataBase Reference]

4497-04-5(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Corrosion (GHS05)
GHS07,GHS05
[Signal word ]

Danger
[Hazard statements ]

H318-H335-H315
[Precautionary statements ]

P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
[Hazard Codes ]

Xi
[HazardClass ]

IRRITANT
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Hydrochloric acid-->Methanol-->Dichloromethane-->Chloroform-->1,4-Dioxane-->Methyl acrylate-->Morpholine-->Isopropylamine-->Methyl 3-morpholinopropionate
Spectrum DetailBack Directory
[Spectrum Detail]

3-MORPHOLIN-4-YL-PROPIONIC ACID(4497-04-5)1HNMR
Hazard InformationBack Directory
[Synthesis]

METHYL 3-MORPHOLINOPROPIONATE

33611-43-7

3-MORPHOLIN-4-YL-PROPIONIC ACID

4497-04-5

The general procedure for the synthesis of 3-(4-morpholino)propionic acid from methyl 3-morpholino propionate was as follows: potassium hydroxide (485 mg, 8.6 mmol) was added to a solution of methyl 3-morpholino propionate (1 g, 5.7 mmol) in ethanol (20 mL) and the mixture was stirred for 2 hr at 80°C. The reaction was carried out using the same method as that used for the synthesis of methyl 3-morpholino propionate. Upon completion of the reaction, the solution was allowed to cool to room temperature and the pH was adjusted to 1 with 6 M hydrochloric acid. insoluble material was removed by filtration, and the volatiles in the filtrate were subsequently removed by evaporation. The resulting oil was ground with ether, the solid product was collected by filtration, washed with dichloromethane and dried under vacuum to give 3-morpholino propionic acid (993 mg, 89% yield) as a white solid. The structure of the product was confirmed by 1H NMR spectroscopy (DMSO-d6; CF3COOD): δ 2.83 (t, 2H), 3.13 (t, 2H), 3.36 (t, 2H), 3.46 (d, 2H), 3.73 (t, 2H), 3.97 (d, 2H). Mass spectrometry analysis (MS-ESI) showed a molecular ion peak of 159 [MH]+.

[References]

[1] Patent: US6184225, 2001, B2
[2] Journal of Medicinal Chemistry, 1993, vol. 36, # 3, p. 320 - 330
[3] Patent: US2008/9491, 2008, A1. Location in patent: Page/Page column 15
[4] RSC Advances, 2017, vol. 7, # 75, p. 47297 - 47308
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