2-(3,5-Dichloro-4-oxopyridin-1(4H)-yl)acetic acid

Base Information

• Chemical Name: 2-(3,5-Dichloro-4-oxopyridin-1(4H)-yl)acetic acid
• CAS No.: 56187-37-2
• Molecular Formula: C7H5Cl2NO3
• Molecular Weight: 222.028
• Hs Code.: 29333990
• European Community (EC) Number: 260-040-1
• UNII: E7BG3284LE
• DSSTox Substance ID: DTXSID90204732
• Nikkaji Number: J296.602F
• Wikidata: Q72468022
• Mol file: 56187-37-2.mol

Synonyms:56187-37-2;3,5-DICHLORO-4-PYRIDONE-1-ACETIC ACID;2-(3,5-Dichloro-4-oxopyridin-1(4H)-yl)acetic acid;3,5-Dichloro-4-pyridone-N-acetic acid;1(4H)-Pyridineacetic acid, 3,5-dichloro-4-oxo-;2-(3,5-dichloro-4-oxopyridin-1-yl)acetic acid;3,5-Dichloro-4-oxo-4H-pyridine-1-acetic acid;E7BG3284LE;3,5-Dichloro-4-oxo-1(4H)-pyridineacetic acid;EINECS 260-040-1;MFCD02180547;UNII-E7BG3284LE;Oprea1_122997;SCHEMBL3189599;DTXSID90204732;AMY23240;BCP13242;CCG-1890;AKOS015891683;3,5-Dichloro-4-pyridone-1-aceticacid;CS-W013127;PS-3415;3,5-DICHLOROPYRIDONE ACETIC ACID;SY018962;FT-0634182;FT-0686401;H10719;(3,5-dichloro-4-oxopyridin-1(4h)-yl)acetic acid;(3,5-Dichloro-4-oxo-1(4H)-pyridinyl)acetic acid AldrichCPR;(3,5-Dichloro-4-oxo-1(4H)-pyridinyl)acetic acid, AldrichCPR;2-(3,5-dichloro-4-oxo-1,4-dihydropyridin-1-yl)acetic acid

Chemical Property of 2-(3,5-Dichloro-4-oxopyridin-1(4H)-yl)acetic acid

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 2.71E-06mmHg at 25°C
• Melting Point: 259-263 °C
• Boiling Point: 364.1 °C at 760 mmHg
• PKA: 3.60±0.10(Predicted)
• Flash Point: 174 °C
• PSA: 59.30000
• Density: 1.65 g/cm³
• LogP: 1.23970
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Sparingly), Methanol (Slightly)
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 220.9646484
• Heavy Atom Count: 13
• Complexity: 300

Purity/Quality:

99% ^*data from raw suppliers

3,5-Dichloro-4-pyridone-1-aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 37/39-26-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=O)C(=CN1CC(=O)O)Cl)Cl
• Uses: 3,5-Dichloro-4-pyridone-1-acetic acid is used as an organic chemical synthesis intermediate.

Technology Process of 2-(3,5-Dichloro-4-oxopyridin-1(4H)-yl)acetic acid

There total 3 articles about 2-(3,5-Dichloro-4-oxopyridin-1(4H)-yl)acetic 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: 90.5%

4-piperidon-1-acetic acid (218772-96-4) → 2-(3,5-dichloro-4-oxopyridine-1(4H)-yl)acetic acid (56187-37-2)

Guidance literature:

With hydrogenchloride; dihydrogen peroxide; In water; at 50 - 55 ℃; for 8h;

Reference yield: 89.3%

4-piperidone hydrochloride (41979-39-9) + chloroacetic acid (79-11-8) → 2-(3,5-dichloro-4-oxopyridine-1(4H)-yl)acetic acid (56187-37-2)

Guidance literature:

4-piperidone hydrochloride; chloroacetic acid; With sodium hydroxide; In water; at 60 - 75 ℃; for 6h;

With hydrogenchloride; dihydrogen peroxide; at 20 - 60 ℃; for 8h;

Reference yield:

3,5-dichloropyridin-4-one (17228-70-5) → 2-(3,5-dichloro-4-oxopyridine-1(4H)-yl)acetic acid (56187-37-2)

Guidance literature:

With chloroacetic acid; In sodium hydroxide; water;

upstream raw materials:

3,5-dichloropyridin-4-one

4-piperidon-1-acetic acid

4-piperidone hydrochloride

chloroacetic acid

Downstream raw materials:

cefazedone

2-(3,5-dichloro-4-oxo-4H-pyridin-1-yl)-N-((5aR)-1,7-dioxo-(5ar)-1,4,6,7-tetrahydro-3H,5aH-azeto[2,1-b]furo[3,4-d][1,3]thiazin-6t-yl)-acetamide

Refernces

• 1、 -. "Pyridone-acetic acid derivative". . . Retrieved 2008/06/13.