4-Methylpyridazine-3,6-diol

Base Information

• Chemical Name: 4-Methylpyridazine-3,6-diol
• CAS No.: 5754-18-7
• Molecular Formula: C5H6N2O2
• Molecular Weight: 126.115
• Hs Code.: 29339900
• European Community (EC) Number: 227-276-7
• NSC Number: 58527,48830
• DSSTox Substance ID: DTXSID10206157
• Nikkaji Number: J100.593F
• Wikidata: Q72466792
• Mol file: 5754-18-7.mol

Synonyms:4-Methylpyridazine-3,6-diol;5754-18-7;3,6-Dihydroxy-4-methylpyridazine;1,2-Dihydro-4-methyl-3,6-pyridazinedione;4-methyl-1,2-dihydropyridazine-3,6-dione;3,6-Pyridazinedione, 1,2-dihydro-4-methyl-;4-Methyl-3,6-pyridazinediol;4-Methyl-pyridazine-3,6-diol;EINECS 227-276-7;MFCD00067746;AI3-62484;3, 1,2-dihydro-4-methyl-;2-Butenedioic acid, cyclic hydrazide, (Z)-;NSC58527;Methylmaleic Hydrazide;4-Methylmaleic hydrazide;Methylmaleic Acid Hydrazide;SCHEMBL344367;4-Methyl-pyridazin-3,6-diol;SCHEMBL10722226;SCHEMBL20059704;4-Methyl-3,6-pyridazinediol #;DTXSID10206157;AMY13357;NSC48830;GEO-01105;MFCD00023867;NSC 48830;NSC 58527;NSC-48830;NSC-58527;STK359432;AKOS003397543;AKOS005258366;Pyridazine, 3,6-dihydroxy-4-methyl-;GS-3716;GS-5931;PB15638;3,6-Dihydroxy-4-methylpyridazine, 97%;4-METHYL-3,6-DIHYDROXYPYRIDAZINE;AC-27090;SY020308;4-Methyl-1,2-dihydro-pyridazine-3,6-dione;CS-0050804;FT-0688098;M2182;EN300-98595;A831484;AC-907/30003041;W-200440;2-Butenedioic acid, 2-methyl-, cyclic hydrazide, (Z)-;Z2379087837;2-[[4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-pyrimidin-2-yl]amino]ethanol

Chemical Property of 4-Methylpyridazine-3,6-diol

Chemical Property:

• Vapor Pressure: 3.74E-08mmHg at 25°C
• Melting Point: 284-288 °C
• Refractive Index: 1.489
• Boiling Point: 434.4 °C at 760 mmHg
• PKA: 9.34±0.40(Predicted)
• Flash Point: 216.5 °C
• PSA: 65.72000
• Density: 1.226 g/cm³
• LogP: -0.62840
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 126.042927438
• Heavy Atom Count: 9
• Complexity: 195

Purity/Quality:

99% ^*data from raw suppliers

1,2-Dihydro-4-methyl-3,6-pyridazinedione ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=O)NNC1=O

Technology Process of 4-Methylpyridazine-3,6-diol

There total 10 articles about 4-Methylpyridazine-3,6-diol 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: 90.0%

citraconic acid anhydride (616-02-4) → 3,6-dihydroxy-4-methylpyridazine (5754-18-7)

Guidance literature:

With hydrazinium sulfate; In water; at 0 ℃; for 6h; Inert atmosphere;

DOI:10.1021/jm401356t

Reference yield: 71.4%

hydrazine dihydrochloride (14011-37-1,5341-61-7) + Citraconic anhydride → 3,6-dihydroxy-4-methylpyridazine (5754-18-7)

Guidance literature:

In water;

Reference yield: 65.0%

citraconic acid anhydride (616-02-4) → 4-methyl-1,2-dihydropyridazine-3,6-dione (5754-18-7)

Guidance literature:

With acetic acid; hydrazine; In ethanol; water; for 24h; pH=6.5; Cooling with ice; Reflux;

DOI:10.1016/j.bmc.2012.01.033

upstream raw materials:

methyl-maleic acid dihydrazide

citraconic acid anhydride

acetic acid

citraconic acid dimethyl ester

Downstream raw materials:

1,2,4-trimethyl-3,6-pyridazinedione

3,6-dichloro-4-methylpyridazine

ethyl 3,6-dichloropyridazine-4-carboxylate

6-chloro-5-methyl-2H-pyridazin-3-one