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ChemicalBook--->CAS DataBase List--->124072-61-3

124072-61-3

124072-61-3 Structure

124072-61-3 Structure
IdentificationBack Directory
[Name]

3-(Methylamino)propanoic acid, N-BOC protected
[CAS]

124072-61-3
[Synonyms]

Boc-N-Me-β-Ala-OH
Boc-N-Me-Beta-Ala
N-Boc-N-methyl-β-alanine
N-Boc-N-Methyl-b-alanine
Boc-N-Methyl-beta-alanine
3-(MethylaMino)propanoic aci
N-BOC-3-(METHYLAMINO)PROPANOIC ACID
3-[(Boc)(methyl)amino]propionic Acid
3-(MethylaMino)propanoic acid, N-BOC
N-t-butoxycarbonyl-N-methyl-β-alanine
N-β-(t-Butoxycarbonyl)-N-β-methyl-β-alanine
N-(TERT-BUTOXYCARBONYL)-N-METHYL-BETA-ALANINE
3-(t-Butoxycarbonyl)methylamino-propionic acid
3-(Methylamino)propanoic acid, N-BOC protected
3-(Methylamino)propanoic acid, N-BOC protected 98%
3-{[2-(tert-butoxy)-2-oxoethyl]aMino}propanoic acid
3-[(tert-Butoxycarbonyl)(methyl)amino]propanoic acid
3-[(TERT-BUTOXYCARBONYL)(METHYL)(AMINO)]PROPIONICACID
β-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-
3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
3-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid
3-[(tert-Butoxycarbonyl)(methyl)amino]propionic acid, N-(tert-Butoxycarbonyl)-N-methyl-beta-alanine
[Molecular Formula]

C9H17NO4
[MDL Number]

MFCD03490508
[MOL File]

124072-61-3.mol
[Molecular Weight]

203.24
Chemical PropertiesBack Directory
[Melting point ]

59-62
[Boiling point ]

307.4±21.0 °C(Predicted)
[density ]

1.113±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

solid
[pka]

4.46±0.10(Predicted)
[color ]

Pale yellow
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319
[Precautionary statements ]

P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
[Hazard Codes ]

Xi
[Hazard Note ]

Irritant
[HS Code ]

2922498590
Spectrum DetailBack Directory
[Spectrum Detail]

3-(Methylamino)propanoic acid, N-BOC protected(124072-61-3)1HNMR
3-(Methylamino)propanoic acid, N-BOC protected(124072-61-3)FT-IR
Hazard InformationBack Directory
[Synthesis]

Boc-beta-alanine

3303-84-2

Iodomethane

74-88-4

3-(Methylamino)propanoic acid, N-BOC protected

124072-61-3

Step 1: Synthesis of 3-(tert-butoxycarbonyl(methyl)amino)propionic acid 1. a mineral oil suspension of 60% NaH (0.528 g, 13.21 mmol) was washed with hexane (2 x 10 mL) to remove the mineral oil. 2. The washed NaH was suspended in anhydrous THF (6 mL) and the mixture was cooled to 0°C. 3. A solution of Boc-β-alanine (1 g, 5.29 mmol) in anhydrous THF (6 mL) was slowly added with stirring. 4. After 5 min, anhydrous THF (6 mL) solution of iodomethane (0.823 mL, 13.21 mmol) was added dropwise. 5. The reaction mixture was stirred overnight at 0 °C to room temperature. 6. Upon completion of the reaction, the reaction was quenched with ice-cold deionized water (50 mL) and the mixture was washed with ether (25 mL). 7. Separate the aqueous layer and acidify to pH < 2 with concentrated aqueous hydrochloric acid (3 mL). 8. Extract the acidified aqueous layer with ethyl acetate (3 x 20 mL). 9. Combine the organic phases, dry with anhydrous sodium sulfate and concentrate under reduced pressure to afford the target product N-Boc-3-(methylamino)propionic acid (1.095 g, quantitative yield) as a yellow oil.

[References]

[1] Patent: US2014/66426, 2014, A1. Location in patent: Paragraph 0779
[2] Patent: WO2014/32801, 2014, A1. Location in patent: Page/Page column 157
[3] Journal of Medicinal Chemistry, 1994, vol. 37, # 11, p. 1562 - 1568
[4] Patent: US5428021, 1995, A
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