Methanesulfonic acid, [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]-, sodium salt, monohydrate

Base Information

• Chemical Name: Methanesulfonic acid, [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]-, sodium salt, monohydrate
• CAS No.: 5907-38-0
• Molecular Formula: C13H16N3NaO4S
• Molecular Weight: 351.359
• Hs Code.: 2933192000
• NSC Number: 758445
• Mol file: 5907-38-0.mol

Synonyms:Novaldin;Dipyrone hydrate;Metamizol monohydrate;Dipyrone [USAN:BAN];C13H16N3NaO4S.H2O;UNII-6429L0L52Y;NSC 73205;NSC-758445;SR-05000001852;C13-H17-N3-O4-S.H2-O.Na;(antipyrinylmethylamino)meth-anesulfonic acid sodium salt;Sodium (antipyrinylmethylamino)methanesulfonate monohydrate;Methanesulfonic acid, [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]-, sodium salt, monohydrate;HMS2231J17;HMS3374O07;Pharmakon1600-01503298;NSC758445;SR-05000001852-1;SR-05000001852-2

Chemical Property of Methanesulfonic acid, [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]-, sodium salt, monohydrate

Chemical Property:

• Appearance/Colour: White or almost white crystal powder
• Melting Point: 221℃
• PSA: 95.75000
• LogP: 1.50410
• Storage Temp.: 2-8°C
• Solubility.: H2O: soluble25mg/mL, clear
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 334.08374649
• Heavy Atom Count: 22
• Complexity: 546

Purity/Quality:

99% ^*data from raw suppliers

Metamizole sodium ≥98% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 63
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)O.[Na+]
• Uses: antibacterial Metamizol Sodium Monohydrate is used in methods of using Metamizole for treatment of Pyrexia in equines.

Technology Process of Methanesulfonic acid, [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]-, sodium salt, monohydrate

There total 2 articles about Methanesulfonic acid, [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]-, sodium salt, monohydrate 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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 4-amino-2,3-dimethyl-1-phenylpyrazolin-5-one (83-07-8) + dimethyl sulfate (77-78-1) → 2,3-dimethyl-4-methyl-aminomethanesulphonate sodium monohydrate-1-phenyl-3-pyrazoline-5-one (5907-38-0)

Guidance literature:

With sodium carbonate; at 40 ℃; Neutralisieren und Erhitzen mit NaHSO₃;

Reference yield:

4-methylaminoantipyrine (519-98-2) → 2,3-dimethyl-4-methyl-aminomethanesulphonate sodium monohydrate-1-phenyl-3-pyrazoline-5-one (5907-38-0)

Guidance literature:

With sodium hydrogensulfite; dann Behandeln mit Formaldehyd-Loesung und anschliessendem Erwaermen;

Reference yield: 69.0%

cobalt(II) chloride hexahydrate + 3-oxo-N-o-tolylbutanamide (93-68-5) + 2,3-dimethyl-4-methyl-aminomethanesulphonate sodium monohydrate-1-phenyl-3-pyrazoline-5-one (5907-38-0) → [cobalt(II)(Cl)(C11H12NO2)(2,3-dimethyl-4-methylaminomethanesulphonate sodium monohydrate-1-phenyl-3-pyrazoline-5-one)(H2O)2]

Guidance literature:

With NH₃; In ethanol; byproducts: H2O, HCl; addn. of ligands to soln. of co-salt (stirring), refluxing (1 h, 80°C), cooling, neutralization (NH3); filtration, washing (EtOH), drying (vac.); elem. anal.;

DOI:10.1080/00945719708003150

upstream raw materials:

formaldehyd

4-amino-2,3-dimethyl-1-phenylpyrazolin-5-one

dimethyl sulfate

4-methylaminoantipyrine