| Identification | More | [Name]
Methyl 3-aminopropionate hydrochloride | [CAS]
3196-73-4 | [Synonyms]
B-ALANINE METHYL ESTER HCL
BETA-ALANINE METHYL ESTER HYDROCHLORIDE
BETA-ALANINE METHYL ESTER HYDROCHLORIDE SALT
BETA-ALANINE-OME HCL
H-BETA-ALA-OME HCL
H-BETA-ALA-OME HYDROCHLORIDE
METHYL 3-AMINOPROPANOATE HYDROCHLORIDE
METHYL 3-AMINOPROPIONATE HYDROCHLORIDE
TIMTEC-BB SBB004173
Beta-Alanine Methyl Ester HCL
H-β-Alanine methyl ester hydrochloride
H-SS-ALA-OME.HCL
H-β-Ala-OMe
B-ALANINEMETHYLESTERHYDROCHLORIDE
H-beta-Ala-OMe•
Beta-Alanine methyl ester hydrochloride, Methyl 3-amino propanolate hydrochloride
H-.BETA.-ALANINE METHYL ESTER HYDROCHLORIDE
β-Alanine methyl ester hydrochloride ,98% | [EINECS(EC#)]
2017-001-1 | [Molecular Formula]
C4H10ClNO2 | [MDL Number]
MFCD00039060 | [Molecular Weight]
139.58 | [MOL File]
3196-73-4.mol |
| Chemical Properties | Back Directory | [Appearance]
white to off-white crystalline powder | [Melting point ]
103-105 °C | [storage temp. ]
2-8°C
| [solubility ]
DMSO (Slightly), Methanol (Slightly), Water (Slightly) | [form ]
Crystalline Powder | [color ]
White to off-white | [Sensitive ]
Hygroscopic | [BRN ]
3556748 | [InChI]
InChI=1S/C4H9NO2.ClH/c1-7-4(6)2-3-5;/h2-3,5H2,1H3;1H | [InChIKey]
XPGRZDJXVKFLHQ-UHFFFAOYSA-N | [SMILES]
C(=O)(OC)CCN.Cl | [CAS DataBase Reference]
3196-73-4(CAS DataBase Reference) |
| Safety Data | Back Directory | [Safety Statements ]
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [F ]
3-10 | [HazardClass ]
IRRITANT | [HS Code ]
29224999 |
| Hazard Information | Back Directory | [Chemical Properties]
white to off-white crystalline powder | [Uses]
β-Alanine Methyl Ester is an intermediate in the synthesis of Trichostatin A (T774710) and Trapoxin B as histone deacetylase inhibitors. | [reaction suitability]
reaction type: solution phase peptide synthesis | [Synthesis]
Under ice bath conditions, 60 mL of methanol was added to a 100 mL round-bottom flask, followed by the slow dropwise addition of 4 mL of sulfoxide chloride (SOCl2) through a constant-pressure dropping funnel (with a desiccant tube at the top), and the resulting off-gas was absorbed with NaOH solution. After stirring the reaction mixture for 1 h, 8 mmol of β-alanine was added and stirring was continued for 30 min at room temperature. Subsequently, the reaction system was warmed up to 66 °C and refluxed for 6 hours. The reaction process was monitored by thin-layer chromatography (TLC) using a 2% ethanol solution of ninhydrin as a color developer until the raw material spot disappeared. Upon completion of the reaction, the solvent was removed by distillation to afford methyl 3-aminopropionate hydrochloride in 100% yield. | [References]
[1] European Journal of Organic Chemistry, 2012, # 29, p. 5774 - 5788,15
[2] European Journal of Organic Chemistry, 2012, # 29, p. 5774 - 5788
[3] Patent: US2014/206741, 2014, A1. Location in patent: Paragraph 0016
[4] European Journal of Medicinal Chemistry, 2018, vol. 154, p. 44 - 59
[5] Journal of Organic Chemistry, 1991, vol. 56, # 7, p. 2553 - 2557 |
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