ChemicalBook--->CAS DataBase List--->501-81-5

501-81-5

501-81-5 Structure

501-81-5 Structure
IdentificationMore
[Name]

3-Pyridylacetic acid
[CAS]

501-81-5
[Synonyms]

2-(3-PYRIDYL)ACETIC ACID
3-PYRIDINEACETIC ACID
3-PYRIDYLACETIC ACID
PYRIDIN-3-YL-ACETIC ACID
PYRIDINE-3-ACETIC ACID
PYRIDYL-3-ACETIC ACID
RARECHEM AL BO 0218
TIMTEC-BB SBB005848
2-(Pyridin-3-yl)acetic acid
Pyridine-3-AceticAcid99%
2-Pyridine Acetic Acid
sodium 2-pyridin-3-ylethanoate
2-(Pyridin-3-yl)acetic acid 98%
3-PYRIDYLACETIC ACID 99%
(Pyridin-3-yl)acetic acid 98%
Coletin
Lessterol
Piristerol
3-Pyridylacetic acid ,98%
Minedil
[EINECS(EC#)]

207-928-7
[Molecular Formula]

C7H7NO2
[MDL Number]

MFCD00066302
[Molecular Weight]

137.14
[MOL File]

501-81-5.mol
Chemical PropertiesBack Directory
[Melting point ]

144-146°C
[Boiling point ]

301.6±17.0 °C(Predicted)
[density ]

1.245±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

Soluble in DMSO
[form ]

crystalline solid
[pka]

3.59±0.10(Predicted)
[color ]

White to off-white
[Detection Methods]

HPLC
[InChI]

InChI=1S/C7H7NO2/c9-7(10)4-6-2-1-3-8-5-6/h1-3,5H,4H2,(H,9,10)
[InChIKey]

WGNUNYPERJMVRM-UHFFFAOYSA-N
[SMILES]

C1=NC=CC=C1CC(O)=O
[CAS DataBase Reference]

501-81-5(CAS DataBase Reference)
[Storage Precautions]

Light sensitive
[EPA Substance Registry System]

501-81-5(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36:Wear suitable protective clothing .
[Hazard Note ]

Irritant
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

29339900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Diethyl ether-->Potassium hydroxide-->Sodium cyanide-->3-Picolyl chloride hydrochloride-->2-Pyridinecarboxylic acid, 3-(chlorocarbonyl)-, methyl ester (9CI)-->Pyridine, 3-(2-propenyl)--->Homoquinolinic acid-->1-Morpholino-2-(3-pyridinyl)ethanethione-->methyl pyridine-3-acetate-->Ethyl 3-pyridylacetate-->3-Pyridylacetic acid hydrochloride-->3-Pyridyl bromide-->3-Acetylpyridine-->carbon monoxide-->3-Pyridylacetonitrile
[Preparation Products]

Risedronic acid-->3-(2-Hydroxyethyl)pyridine
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-(3-Pyridyl)acetic acid(501-81-5).msds
Hazard InformationBack Directory
[Chemical Properties]

Off-white to light yellow solid
[Definition]

ChEBI: A monocarboxylic acid that is acetic acid substituted by a (pyridin-3-yl) group. It is a metabolite of nicotine and other tobacco alkaloids.
[Synthesis]

3-Pyridylacetic acid hydrochloride

6419-36-9

3-Pyridylacetic acid

501-81-5

(1) 2-(pyridin-3-yl)acetic acid hydrochloride (13.2 g, 75.6 mmol) was suspended in ethanol (100 mL) and an ethanol solution of 0.5 mol/L potassium hydroxide (150 mL) was slowly added. The reaction mixture was stirred until homogeneous and then filtered to remove the resulting potassium chloride precipitate. The filtrate was concentrated and dried to give 2-(pyridin-3-yl)acetic acid (10.6 g, quantitative yield).

[storage]

Store at -20°C
[References]

[1] Patent: EP1559716, 2005, A1. Location in patent: Page/Page column 20
Spectrum DetailBack Directory
[Spectrum Detail]

3-Pyridylacetic acid(501-81-5)1HNMR
3-Pyridylacetic acid(501-81-5)1HNMR
3-Pyridylacetic acid(501-81-5)FT-IR
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