6-Methylpyridazine-3-carboxylic acid

Base Information

• Chemical Name: 6-Methylpyridazine-3-carboxylic acid
• CAS No.: 64210-60-2
• Molecular Formula: C6H6N2O2
• Molecular Weight: 138.126
• Hs Code.: 2933990090
• European Community (EC) Number: 826-178-7
• DSSTox Substance ID: DTXSID10543731
• Nikkaji Number: J466.161C
• Wikidata: Q82420679

Synonyms:6-METHYLPYRIDAZINE-3-CARBOXYLIC ACID;64210-60-2;6-METHYL-3-PYRIDAZINECARBOXYLIC ACID;MFCD09834366;3-Pyridazinecarboxylic acid, 6-methyl-;6-Methylpyridazine-3-carboxylicAcid;SCHEMBL3889503;DTXSID10543731;SJWGLCDFBFCHNV-UHFFFAOYSA-N;BCP22421;AKOS006329173;AB52759;CS-W003657;AS-35910;SY007131;EN300-118417;J-518918;Z1198232969

Chemical Property of 6-Methylpyridazine-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 407.91oC at 760 mmHg
• PKA: 4.30±0.10(Predicted)
• Flash Point: 200.497oC
• PSA: 63.08000
• Density: 1.319g/cm3
• LogP: 0.48320
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 138.042927438
• Heavy Atom Count: 10
• Complexity: 138

Purity/Quality:

97% ^*data from raw suppliers

6-Methylpyridazine-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN=C(C=C1)C(=O)O

Technology Process of 6-Methylpyridazine-3-carboxylic acid

There total 2 articles about 6-Methylpyridazine-3-carboxylic 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: 73.0%

6-methylpyridazine-3-carbonitrile (49840-90-6) → 6-methyl-3-pyridazinecarboxylic acid (64210-60-2)

Guidance literature:

With phosphate buffer; for 288h; immobilized nitrilase from Rhodococcus sp.;

DOI:10.1016/S0040-4039(00)92623-6

Reference yield:

2-Benzoyl-6-methyl-2,3-dihydro-pyridazine-3-carbonitrile (78490-07-0) → 6-methyl-3-pyridazinecarboxylic acid (64210-60-2)

Guidance literature:

With hydrogen bromide; In acetic acid; for 0.25h; Heating;

Reference yield: 44.0%

5-[(3-fluorophenyl)methyl]pyridin-2-amine + 6-methyl-3-pyridazinecarboxylic acid (64210-60-2) → N-{5-[(3-fluorophenyl)methyl]pyridin-2-yl}-6-methylpyridazine-3-carboxamide

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 N,N-dimethyl-formamide; at 20 ℃; for 16h;

upstream raw materials:

2-Benzoyl-6-methyl-2,3-dihydro-pyridazine-3-carbonitrile

6-methylpyridazine-3-carbonitrile

Downstream raw materials:

ethyl 6-methylpyridazine-3-carboxylate

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