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3-Pyridylacetic acid

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3-Pyridylacetic acid Basic information

Product Name:
3-Pyridylacetic acid
Synonyms:
  • RARECHEM AL BO 0218
  • TIMTEC-BB SBB005848
  • PYRIDYL-3-ACETIC ACID
  • PYRIDINE-3-ACETIC ACID
  • PYRIDIN-3-YL-ACETIC ACID
  • 2-(3-PYRIDYL)ACETIC ACID
  • 3-PYRIDYLACETIC ACID
  • 3-PYRIDINEACETIC ACID
CAS:
501-81-5
MF:
C7H7NO2
MW:
137.14
EINECS:
207-928-7
Product Categories:
  • Pyridines
  • Organic acids
  • Heterocycle-Pyridine series
Mol File:
501-81-5.mol
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3-Pyridylacetic acid Chemical Properties

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
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)
EPA Substance Registry System
3-Pyridineacetic acid (501-81-5)
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Safety Information

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36/37/39-36
Hazard Note 
Irritant
HS Code 
29339900

MSDS

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3-Pyridylacetic acid Usage And Synthesis

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

6419-36-9

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).

References

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

3-Pyridylacetic acid Preparation Products And Raw materials

Raw materials

3-Pyridylacetic acidSupplier

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