2-Pyridin-1-ium-2-ylacetic acid;chloride

Base Information

• Chemical Name: 2-Pyridin-1-ium-2-ylacetic acid;chloride
• CAS No.: 16179-97-8
• Molecular Formula: C7H7NO2^.HCl
• Molecular Weight: 173.599
• Hs Code.: 29333999
• Mol file: 16179-97-8.mol

Synonyms:2-pyridin-1-ium-2-ylacetic acid;chloride;AKOS023093292;2-Pyridinylacetic acid hydrochloride (1:1);NS00086520

Chemical Property of 2-Pyridin-1-ium-2-ylacetic acid;chloride

Chemical Property:

• Appearance/Colour: white to off-white solid
• Vapor Pressure: 0.00235mmHg at 25°C
• Melting Point: 135 °C (dec.)(lit.)
• Boiling Point: 276.2 °C at 760 mmHg
• Flash Point: 120.8 °C
• PSA: 50.19000
• LogP: 1.51070
• Storage Temp.: Hygroscopic, -20?C Freezer, Under Inert Atmosphere
• Sensitive.: Hygroscopic
• Solubility.: DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
• Water Solubility.: It is soluble in water.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 173.0243562
• Heavy Atom Count: 11
• Complexity: 125

Purity/Quality:

99% ^*data from raw suppliers

2-Pyridylacetic acid hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=[NH+]C(=C1)CC(=O)O.[Cl-]
• Uses: 2-Pyridineacetic acid hydrochloride is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. It is also used as an intermediate in organic synthesis. 2-Pyridylacetic acid hydrochloride is used in nucleophilic substitution.

Technology Process of 2-Pyridin-1-ium-2-ylacetic acid;chloride

There total 1 articles about 2-Pyridin-1-ium-2-ylacetic acid;chloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 86.0%

2-Oxo-3-pyridin-2-yl-propionic acid → pyridin-2-yl acetic acid hydrochloride (16179-97-8)

Guidance literature:

With sodium perborate; In water; for 48h; Ambient temperature;

DOI:10.1016/S0040-4020(98)00518-3

Reference yield: 100.0%

methanol (67-56-1) + pyridin-2-yl acetic acid hydrochloride (16179-97-8) → methyl 2-pyridylacetate (1658-42-0)

Guidance literature:

methanol; pyridin-2-yl acetic acid hydrochloride; With chloro-trimethyl-silane; at 0 - 20 ℃; Inert atmosphere;

With sodium hydrogencarbonate; In water;

DOI:10.1016/j.tet.2011.02.027

Reference yield: 98.0%

pyridin-2-yl acetic acid hydrochloride (16179-97-8) + SLF (195513-96-3) → C37H45N3O7

Guidance literature:

With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In dichloromethane; N,N-dimethyl-formamide; at 23 ℃; for 12h; Inert atmosphere;

Downstream raw materials:

6-bromo-3-(2-pyridyl)coumarin

pyridin-2-yl-acetic acid; sodium salt

2,4,6-trimethylphenyl 2-pyridylacetate

methyl 2-pyridylacetate

Refernces