3-Amino-4-pyridazinecarboxylic acid

Base Information

• Chemical Name: 3-Amino-4-pyridazinecarboxylic acid
• CAS No.: 21141-03-7
• Molecular Formula: C5H5N3O2
• Molecular Weight: 139.114
• DSSTox Substance ID: DTXSID00423331
• Wikidata: Q72441465
• Mol file: 21141-03-7.mol

Synonyms:3-Amino-4-pyridazinecarboxylic acid;21141-03-7;3-aminopyridazine-4-carboxylic Acid;3-AMINO-PYRIDAZINE-4-CARBOXYLIC ACID;4-Pyridazinecarboxylic acid, 3-amino-;MFCD01318258;3-AMINO-4-PYRIDAZINECARBOXYLICACID;SCHEMBL3243133;DTXSID00423331;KCOOFYQDXAMIBZ-UHFFFAOYSA-N;3-amino-4-pyridazinecarboxylic?acid;AMY15695;BCP32393;Ethyl2-chloro-6-fluorophenylacetate;4-Pyridazinecarboxylicacid,3-amino-;AKOS006342814;CS-W002763;SB35369;SY005535;TS-00038;FT-0647556;3-Amino-4-pyridazinecarboxylic acid, AldrichCPR;J-511627

Chemical Property of 3-Amino-4-pyridazinecarboxylic acid

Chemical Property:

• Vapor Pressure: 1.18E-09mmHg at 25°C
• Melting Point: 261-263 °C (decomp)
• Refractive Index: 1.663
• Boiling Point: 470.5 °C at 760 mmHg
• PKA: 2.11±0.10(Predicted)
• Flash Point: 238.3 °C
• PSA: 89.10000
• Density: 1.533 g/cm³
• LogP: 0.33820
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 139.038176411
• Heavy Atom Count: 10
• Complexity: 139

Purity/Quality:

98%min ^*data from raw suppliers

3-Amino-4-pyridazinecarboxylicacid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=NC(=C1C(=O)O)N

Technology Process of 3-Amino-4-pyridazinecarboxylic acid

There total 3 articles about 3-Amino-4-pyridazinecarboxylic 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: 94.0%

pyrimido<4,5-c>pyridazin-5(6H)-one (34122-01-5) → 3-amino-4-pyridazinecarboxylic acid (21141-03-7)

Guidance literature:

With sodium hydroxide; In water; for 1.5h; Heating;

DOI:10.1021/jo00203a012

Reference yield:

sodium 5-oxo-1,4,5,6-tetrahydropyrimido<4,5,c>pyridazine-4-sulfonate (94295-31-5) → 3-amino-4-pyridazinecarboxylic acid (21141-03-7)

Guidance literature:

Multi-step reaction with 2 steps

1: CF₃COOH / 0.17 h

2: 94 percent / 1.0 aq. N NaOH / H₂O / 1.5 h / Heating

With sodium hydroxide; trifluoroacetic acid; In water;

DOI:10.1021/jo00203a012

Reference yield:

→ 3-amino-4-pyridazinecarboxylic acid (21141-03-7)

Guidance literature:

6,8-Dihydro-pyrimido<4,5-c>pyridazin-5,7-dion, NaOH;

upstream raw materials:

pyrimido<4,5-c>pyridazin-5(6H)-one

sodium 5-oxo-1,4,5,6-tetrahydropyrimido<4,5,c>pyridazine-4-sulfonate

Refernces