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15197-75-8

15197-75-8 Structure

15197-75-8 Structure
IdentificationBack Directory
[Name]

3-PYRIDIN-2-YL-PROPIONIC ACID H2SO4
[CAS]

15197-75-8
[Synonyms]

2-PYRIDINEPROPANOIC ACID
2-Pyridylpropanoic acid
3-(2-Pyridinyl)propanoic acid
3-(2-Pyridyl)propionicacid,97%
2-(3-Pyridyl)propionic acid, 97%
3-PYRIDIN-2-YL-PROPIONIC ACID H2SO4
3-Pyridin-2-yl-propionic acid sulfate
3-Pyridin-2-yl-propionic acid H2SO4 ,95%
3-Pyridin-2-yl-propionic acid sulfuric acid
3-pyridin-2-ylpropanoic acid(SALTDATA: 0.02Na2SO4)
[Molecular Formula]

C8H11NO6S
[MDL Number]

MFCD06858512
[MOL File]

15197-75-8.mol
[Molecular Weight]

249.24
Chemical PropertiesBack Directory
[Melting point ]

140-145°C
[Boiling point ]

287.4±15.0 °C(Predicted)
[density ]

1.193±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

solid
[pka]

3.87±0.10(Predicted)
[color ]

Light brown
[InChI]

1S/C8H9NO2/c10-8(11)5-4-7-3-1-2-6-9-7/h1-3,6H,4-5H2,(H,10,11)
[InChIKey]

AZYKGQOIAGPVCK-UHFFFAOYSA-N
[SMILES]

n1c(cccc1)CCC(=O)O
Safety DataBack Directory
[Symbol(GHS) ]

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

Danger
[Hazard statements ]

H315-H317-H318-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

37/38-41
[Safety Statements ]

26-39
[WGK Germany ]

3
[HS Code ]

2933399990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Dam. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Pyridine-->Palladium-->Piperidine-->Malonic acid-->2-Pyridinecarboxaldehyde-->2-Pyridinepropanol-->Ethanol-->Water-->Potassium permanganate
[Preparation Products]

2-Pyridylethylamine
Spectrum DetailBack Directory
[Spectrum Detail]

3-PYRIDIN-2-YL-PROPIONIC ACID H2SO4(15197-75-8)1HNMR
Hazard InformationBack Directory
[Synthesis]

2-Pyridinepropanol

2859-68-9

3-PYRIDIN-2-YL-PROPIONIC ACID H2SO4

15197-75-8

The general procedure for the synthesis of 3-pyridin-2-yl-propanoic acid from 3-(pyridin-2-yl)propan-1-ol was as follows: 3-(2-pyridinyl)-propanol (1 g, 7.6 mmol), water (13 mL), and concentrated sulfuric acid (0.59 mL, 5.1 mmol) were added to a 50 mL round-bottom flask equipped with a stirrer. Potassium permanganate (1.8 g, 11.3 mmol) was added to the stirring reaction mixture in batches over a period of 30 min while the reaction temperature was controlled at 50 °C. After the addition was completed, the reaction continued to be stirred at 50 °C until the color of the mixture changed to brown. Subsequently, the reaction mixture was warmed up to 80 °C and heated for 1 h. After completion of the reaction, it was filtered. The filtrate was concentrated to dryness under reduced pressure to afford the crude product 3-(2-pyridyl)-propionic acid (1.14 g), which could be used directly in the next step of the reaction without further purification. To obtain the pure product, the above crude product was dissolved in ethanol (10 mL), activated charcoal (0.1 g) was added, refluxed for 5 min and then hot filtered. The filtrate was cooled and crystallized to give pure 3-(2-pyridyl)-propionic acid (0.88 g, 78% yield).

[References]

[1] ACS Catalysis, 2018, vol. 8, # 7, p. 6738 - 6744
[2] Patent: US6162927, 2000, A
[3] Journal of Medicinal Chemistry, 2013, vol. 56, # 22, p. 9156 - 9169
[4] Journal of the American Chemical Society, 1951, vol. 73, p. 3156,3167
[5] Organic Process Research and Development, 2017, vol. 21, # 9, p. 1388 - 1393
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