2-(6-Oxopyridazin-1-yl)acetic acid

Base Information

• Chemical Name: 2-(6-Oxopyridazin-1-yl)acetic acid
• CAS No.: 95209-84-0
• Molecular Formula: C6H6N2O3
• Molecular Weight: 154.125
• European Community (EC) Number: 864-682-9
• DSSTox Substance ID: DTXSID10362843
• Wikidata: Q72499129
• Mol file: 95209-84-0.mol

Synonyms:95209-84-0;(6-oxopyridazin-1(6{H})-yl)acetic acid;2-(6-oxopyridazin-1-yl)acetic acid;2-(6-oxopyridazin-1(6H)-yl)acetic acid;2-(6-OXO-1,6-DIHYDROPYRIDAZIN-1-YL)ACETIC ACID;(6-oxopyridazin-1(6h)-yl)acetic acid;(6-Oxopyridazin-1(6(h))-yl)acetic acid;[6-Oxopyridazin-1(6H)-yl]acetic acid;SCHEMBL1155525;DTXSID10362843;MFCD03990569;1(6h)-pyridazineacetic acid,6-oxo-;AKOS002685309;2-(6-oxopyridazin-1(6H)-yl)aceticacid;FT-0765394;EN300-237561;F1967-0119

Chemical Property of 2-(6-Oxopyridazin-1-yl)acetic acid

Chemical Property:

• PSA: 72.19000
• LogP: -0.67210
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 154.03784206
• Heavy Atom Count: 11
• Complexity: 244

Purity/Quality:

97% ^*data from raw suppliers

(6-oxopyridazin-1(6{H})-yl)aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=O)N(N=C1)CC(=O)O

Technology Process of 2-(6-Oxopyridazin-1-yl)acetic acid

There total 3 articles about 2-(6-Oxopyridazin-1-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: 99.0%

ethyl 2-(6-oxopyridazin-1(6H)-yl)acetate (874491-58-4) → 2-(6-oxopyridazin-1(6H)-yl)acetic acid (95209-84-0)

Guidance literature:

With lithium hydroxide monohydrate; In methanol; water; at 20 ℃; for 0.333333h;

Reference yield: 67.0%

2H-Pyridazin-3-one (504-30-3) + chloroacetic acid (79-11-8) → 2-(6-oxopyridazin-1(6H)-yl)acetic acid (95209-84-0)

Guidance literature:

With sodium hydroxide; In water; for 1h; Heating;

DOI:10.1135/cccc19842541

Reference yield:

2-[6-chloro-pyridazin-3(2H)-one-2-yl]-acetic acid (89581-61-3) → 2-(6-oxopyridazin-1(6H)-yl)acetic acid (95209-84-0)

Guidance literature:

With palladium on activated charcoal; Hydrogenation;

DOI:10.1007/BF00925244

upstream raw materials:

2-[6-chloro-pyridazin-3(2H)-one-2-yl]-acetic acid

ethyl 2-(6-oxopyridazin-1(6H)-yl)acetate

2H-Pyridazin-3-one

chloroacetic acid