ChemicalBook--->CAS DataBase List--->6419-36-9

6419-36-9

6419-36-9 Structure

6419-36-9 Structure
IdentificationMore
[Name]

3-Pyridylacetic acid hydrochloride
[CAS]

6419-36-9
[Synonyms]

2-(3-PYRIDINYL)ACETIC ACID HYDROCHLORIDE
3-PYRIDINEACETIC ACID HCL
3-PYRIDINEACETIC ACID HYDROCHLORIDE
3-PYRIDYLACETIC ACID HCL
3-PYRIDYLACETIC ACID HYDROCHLORIDE
PYRIDIN-3-YLACETIC ACID HYDROCHLORIDE
PYRIDINE-3-ACETIC ACID HYDROCHLORIDE
TIMTEC-BB SBB003812
2-(3-Pyridinyl)acetic acid
3-Pyridylactic Acid Hydrochloride
3-(acety acid)pyridine hydrochloride
Pyridine-3-acetic acid hydrochloride, 98+%
Risedronate Sodium intermediate
3-(acetic acid)pyridine hydrochloride
Pyridin-3-ylacetic acid hydrochloride 97%
Pyridine-3-acetic acid hydrochloride,3-Pyridylacetic acid hydrochloride,
3-Pyridylacetic acid hydrochloride, HPLC 98%
3-PYRIDYLACETIC ACID HCI
3-Pyridineacetic acid hydrochloride, 98+%
3-Pyridylacetic acid hydrochloride, 98+%
[EINECS(EC#)]

229-148-6
[Molecular Formula]

C7H8ClNO2
[MDL Number]

MFCD00012819
[Molecular Weight]

173.6
[MOL File]

6419-36-9.mol
Chemical PropertiesBack Directory
[Appearance]

white to beige crystalline powder
[Melting point ]

161-163 °C(lit.)
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

DMSO (Sparingly), Methanol (Slightly)
[form ]

Crystalline Powder, Crystals and/or Chunks
[color ]

White to light yellow or beige
[Merck ]

14,7971
[BRN ]

3696630
[Stability:]

Hygroscopic
[InChI]

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

XVCCOEWNFXXUEV-UHFFFAOYSA-N
[SMILES]

C(C1=CN=CC=C1)C(=O)O.Cl
[CAS DataBase Reference]

6419-36-9(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[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:Wear suitable protective clothing .
[WGK Germany ]

3
[F ]

10
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29333990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

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

3-PYRIDYLACETONITRILE-->3-(Chloromethyl)pyridine-->2-Chloro-3-pyridineacetic acid-->Morpholine-->3-Acetylpyridine-->1-Morpholino-2-(3-pyridinyl)ethanethione-->Hydrochloric acid-->Hydrogen-->Sodium hydroxide
[Preparation Products]

3-Pyridineethaneamine-->(R)-Ethyl 2-(piperidin-3-yl)acetic acid hydrochloride-->Risedronic acid-->3-(2-HYDROXYETHYL)PYRIDINE-->3-Pyridylacetic acid
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-(3-Pyridinyl)acetic acid hydrochloride(6419-36-9).msds
Hazard InformationBack Directory
[Description]

3-Pyridineacetic acid hydrochloride is a higher homologue of nicotinic acid, a breakdown product of nicotine (and other tobacco alkaloids).
[Chemical Properties]

white to beige crystalline powder
[Uses]

3-Pyridylacetic Acid is a metabolite of Nicotine (N412420). 3-Pyridylacetic Acid is an antilipemic.
[General Description]

Risedronate Impurity D is an impurity of risedronate, which is a new generation pyridinyl bisphosphonate, effectively used in the treatment of Paget′s disease of bone. It is also used for the treatment of skeletal disorders since it inhibits osteoclast-mediated bone resorption and modulates bone metabolism.
[Synthesis]

2-Chloro-3-pyridineacetic acid

61494-55-1

3-Pyridylacetic acid hydrochloride

6419-36-9

The general procedure for synthesizing pyridine-3-acetic acid hydrochloride from 2-chloropyridine-3-acetic acid is as follows: 1. 50 grams of 2-chloro-3-pyridineacetic acid is prepared as 25% mass fraction of 2-chloro-3-pyridineacetic acid sodium solution. 2. 47 g of 30% sodium hydroxide solution (a small amount of insoluble polymer may be generated during the reaction) is added to the above solution, stirred well and filtered. 3. 20% of nickel ruanne catalyst is added to the filtrate, heated to 90-95°C, and the reaction is carried out by passing hydrogen gas at atmospheric pressure or 1MPa pressure. 4. After completion of the reaction, the catalyst is removed by filtration and the filtrate is adjusted to pH 4 with hydrochloric acid. 5. Activated carbon was added for decolorization and the solvent was subsequently removed to obtain a viscous liquid (containing NaCl crystals). 6. 100 g of anhydrous ethanol was added to the viscous liquid, which was fully dissolved and filtered to obtain an ethanol solution of 3-pyridylacetic acid. 7. Remove the ethanol in the solution (after drying to obtain a viscous liquid, can be appropriate amount of water and then dry again). 8. Add 50 g of water and 35 g of hydrochloric acid and react at 50 °C to form a salt, followed by drying to remove the solvent water to obtain a viscous solid. 9. Cooled to room temperature, washed with 50 g of anhydrous ethanol, filtered, rinsed with a small amount of ethanol solid, drying, to obtain 47.5 g of pyridine-3-acetic acid hydrochloride, purity 99.1%, yield 95.0%.

[References]

[1] Patent: CN106366034, 2017, A. Location in patent: Paragraph 0020; 0023; 0024; 0025; 0028; 0029
Spectrum DetailBack Directory
[Spectrum Detail]

3-Pyridylacetic acid hydrochloride(6419-36-9)MS
3-Pyridylacetic acid hydrochloride(6419-36-9)1HNMR
3-Pyridylacetic acid hydrochloride(6419-36-9)13CNMR
3-Pyridylacetic acid hydrochloride(6419-36-9)IR1
3-Pyridylacetic acid hydrochloride(6419-36-9)IR2
3-Pyridylacetic acid hydrochloride(6419-36-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Pyridylacetic acid hydrochloride, 98%(6419-36-9)
[Alfa Aesar]

3-Pyridineacetic acid hydrochloride, 98+%(6419-36-9)
[Sigma Aldrich]

6419-36-9(sigmaaldrich)
[TCI AMERICA]

3-Pyridylacetic Acid Hydrochloride,>99.0%(T)(6419-36-9)
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