4-Pyridineacetic acid

Base Information

• Chemical Name: 4-Pyridineacetic acid
• CAS No.: 28356-58-3
• Molecular Formula: C7H7NO2
• Molecular Weight: 137.138
• Hs Code.: 2933399090
• European Community (EC) Number: 248-990-5
• UNII: SN2796229G
• DSSTox Substance ID: DTXSID1067382
• Nikkaji Number: J250.704H
• Wikidata: Q72504034
• ChEMBL ID: CHEMBL1801805
• Mol file: 28356-58-3.mol

Synonyms:4-Pyridineacetic acid;28356-58-3;2-(pyridin-4-yl)acetic acid;4-Pyridylacetic acid;pyridine-4-acetic acid;2-pyridin-4-ylacetic acid;Pyridin-4-ylacetic acid;pyridin-4-yl-acetic acid;(4-pyridinyl)acetic acid;EINECS 248-990-5;SN2796229G;2-(4-pyridyl)acetic acid;4-pyridin-acetic acid;4-pyridyl-acetic acid;4-carboxymethylpyridine;4-pyridine acetic acid;4-pyridine-acetic acid;2-(pyridin-4-yl)aceticacid;SCHEMBL48554;CHEMBL1801805;DTXSID1067382;UNII-SN2796229G;4-pyridineacetic acid, AldrichCPR;MFCD03701446;AKOS005216598;AC-6580;Benzene, [1-(diethoxymethyl)ethenyl]-;AS-38253;A5387;CS-0046227;FT-0619454;SR-01000944882;SR-01000944882-1

Chemical Property of 4-Pyridineacetic acid

Chemical Property:

• Vapor Pressure: 0.000399mmHg at 25°C
• Melting Point: 33-35°C(lit.)
• Refractive Index: 1.557
• Boiling Point: 303.823 °C at 760 mmHg
• PKA: 3.04±0.10(Predicted)
• Flash Point: 137.548 °C
• PSA: 50.19000
• Density: 1.246 g/cm³
• LogP: 1.51070
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 137.047678466
• Heavy Atom Count: 10
• Complexity: 119

Purity/Quality:

99% ^*data from raw suppliers

4-Pyridineacetic acid 95% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Useful:

• Canonical SMILES: C1=CN=CC=C1CC(=O)O

Technology Process of 4-Pyridineacetic acid

There total 19 articles about 4-Pyridineacetic acid 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: 88.0%

1-(morpholin-4-yl)-2-(pyridin-4-yl)ethanethione (35081-79-9) → pyridine-4-acetic acid (28356-58-3)

Guidance literature:

With sodium hydroxide; for 0.0166667h; microwave irradiation;

DOI:10.1081/SCC-100000216

Reference yield:

3-Phenyl-3-(2-pyridin-4-yl-acetoxy)-propionic acid ethyl ester → pyridine-4-acetic acid (28356-58-3) + Ethyl 3-hydroxy-3-phenylpropanoate (5764-85-2)

Guidance literature:

In methanol; water; Rate constant; penicillin G acylase in pH 8 phosphate buffer;

DOI:10.1016/0040-4039(95)00440-N

Reference yield:

methyl 4-pyridineacetate (29800-89-3) → pyridine-4-acetic acid (28356-58-3)

Guidance literature:

With water; sodium hydroxide; In tetrahydrofuran; at 20 ℃; for 2h;

upstream raw materials:

1-(morpholin-4-yl)-2-(pyridin-4-yl)ethanethione

picoline

carbon dioxide

isopropyl 4-pyridylacetate

Downstream raw materials:

pyridin-4-yl-acetic acid ethyl ester

1-phenyl-2-(4-pyridinyl)ethanone

4-(2-Hydroxyethyl)piperidine

picoline

Refernces

• 1、 -. "Neuropeptide Y antagonists". Page column 23-24. . Retrieved 2010/02/05.
• 2、 Lygo, Barry,Crosby, John,Lowdon, Terence R.,Wainwright, Philip G.. "Enantio- and diastereoselective synthesis of all four possible stereoisomers of 2-(phenylhydroxymethyl)quinuclidine". . p. 2343 - 2346. Retrieved 2007/10/03.