4-Aminoantipyrine hydrochloride

Base Information

• Chemical Name: 4-Aminoantipyrine hydrochloride
• CAS No.: 22198-72-7
• Molecular Formula: C11H14ClN3O
• Molecular Weight: 239.705
• Hs Code.: 2933199090
• European Community (EC) Number: 244-832-4
• NSC Number: 1740
• UNII: F7WGH82I6D
• DSSTox Substance ID: DTXSID8066769
• Wikidata: Q27277786
• Mol file: 22198-72-7.mol

Synonyms:22198-72-7;4-Aminoantipyrine hydrochloride;4-Amino-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one hydrochloride;4-AMINOANTIPYRINE HCl;Ampyrone hydrochloride;UNII-F7WGH82I6D;F7WGH82I6D;NSC 1740;NSC-1740;EINECS 244-832-4;Antipyrine, 4-amino-, monohydrochloride;4-amino-1,5-dimethyl-2-phenylpyrazol-3-one;hydrochloride;4-Amino-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one monohydrochloride;3H-Pyrazol-3-one, 4-amino-1,2-dihydro-1,5-dimethyl-2-phenyl-, monohydrochloride;4-amino-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one hydrochloride;3H-Pyrazol-3-one, 4-amino-1,2-dihydro-1,5-dimethyl-2-phenyl-, hydrochloride (1:1);NSC1740;4-AA.HCl;Antipyrine, monohydrochloride;SCHEMBL1830291;DTXSID8066769;XAA19872;4-Amino-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-onehydrochloride;MFCD00042012;AKOS015902338;AS-71732;A0257;CS-0153632;FT-0638196;D94710;EN300-7403239;A816010;Q27277786;1,5-DIMETHYL-2-PHENYL-4-AMINOPYRAZOLONE HYDROCHLORIDE;3H-Pyrazol-3-one,2-dihydro-1,5-dimethyl-2-phenyl-, monohydrochloride;3H-Pyrazol-3-one,4-amino-1,2-dihydro-1,5-dimethyl-2-phenyl-,hydrochloride(1:1)

Chemical Property of 4-Aminoantipyrine hydrochloride

Chemical Property:

• Appearance/Colour: faint yellow to orange crystalline powder
• Vapor Pressure: 0.000659mmHg at 25°C
• Melting Point: 220-225 °C
• Boiling Point: 309 °C at 760 mmHg
• Flash Point: 140.7 °C
• PSA: 52.95000
• LogP: 2.44980
• Water Solubility.: almost transparency
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 239.0825398
• Heavy Atom Count: 16
• Complexity: 305

Purity/Quality:

99% ^*data from raw suppliers

4-Amino-1,5-dimethyl-2-phenylpyrazol-3-oneHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N.Cl

Technology Process of 4-Aminoantipyrine hydrochloride

There total 1 articles about 4-Aminoantipyrine hydrochloride 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:

4-amino-2,3-dimethyl-1-phenylpyrazolin-5-one (83-07-8) → 4-aminoantipyrine hydrochloride (22198-72-7)

Guidance literature:

With hydrogenchloride; at 0 ℃;

DOI:10.1016/j.molstruc.2018.11.093

Reference yield: 98.5%

4-aminoantipyrine hydrochloride (22198-72-7) + acetic anhydride (108-24-7) → 4-acetylaminoantipyrine (83-15-8)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; nickel dichloride; In CH₃Cl;

DOI:10.1021/bi101797v

Reference yield:

4-aminoantipyrine hydrochloride (22198-72-7) → 4-methylaminoantipyrine (519-98-2)

Guidance literature:

Multi-step reaction with 3 steps

1: N-ethyl-N,N-diisopropylamine; nickel dichloride / CH₃Cl

2: sodium hydride / tetrahydrofuran; mineral oil / 0 - 20 °C / Inert atmosphere

3: hydrogenchloride; water / Reflux

With hydrogenchloride; water; sodium hydride; N-ethyl-N,N-diisopropylamine; nickel dichloride; In tetrahydrofuran; CH₃Cl; mineral oil;

DOI:10.1021/bi101797v

upstream raw materials:

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

Downstream raw materials:

4-methylaminoantipyrine

4-acetylaminoantipyrine

Refernces