4-Nitrosoantipyrine

Base Information

• Chemical Name: 4-Nitrosoantipyrine
• CAS No.: 885-11-0
• Molecular Formula: C11H11 N3 O2
• Molecular Weight: 217.227
• Hs Code.: 2933199090
• European Community (EC) Number: 212-941-6
• NSC Number: 163932,75060
• UNII: 6E87K64L4I
• DSSTox Substance ID: DTXSID80237079
• Nikkaji Number: J855I
• Wikidata: Q27264674
• Mol file: 885-11-0.mol

Synonyms:4-nitrosoantipyrine;4-nitrosoantipyrine, 5-(14)C-labeled

Chemical Property of 4-Nitrosoantipyrine

Chemical Property:

• Vapor Pressure: 0.000767mmHg at 25°C
• Melting Point: >168°C (dec.)
• Boiling Point: 306.5°C at 760 mmHg
• Flash Point: 139.2°C
• PSA: 56.36000
• Density: 1.26g/cm³
• LogP: 1.88230
• Storage Temp.: Amber Vial, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 217.085126602
• Heavy Atom Count: 16
• Complexity: 345

Purity/Quality:

99% ^*data from raw suppliers

Nitrosoantipyrine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=O
• Uses: Nitrosoantipyrine is a derivative of antipyrine (A697500), an analgesic agent.

Technology Process of 4-Nitrosoantipyrine

There total 5 articles about 4-Nitrosoantipyrine 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: 23.0%

antipyrine (60-80-0) → 1,5-dimethyl-4-nitroso-2-phenyl-1,2-dihydro-pyrazol-3-one (885-11-0)

Guidance literature:

With acetic acid; sodium nitrite; at 0 - 5 ℃; for 0.333333h;

DOI:10.1007/BF00487306

Reference yield:

→ 1,5-dimethyl-4-nitroso-2-phenyl-1,2-dihydro-pyrazol-3-one (885-11-0)

Guidance literature:

With sodium nitrite;

Reference yield:

→ 1,5-dimethyl-4-nitroso-2-phenyl-1,2-dihydro-pyrazol-3-one (885-11-0)

Guidance literature:

upstream raw materials:

antipyrine

dinitrogen tetraoxide

Downstream raw materials:

1,5-dimethyl-2-phenyl-4-(3-phenyl-propylamino)-1,2-dihydro-pyrazol-3-one

aminopyrine

4-cyclohexylamino-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one

1,5-dimethyl-4-phenethylamino-2-phenyl-1,2-dihydro-pyrazol-3-one

Refernces

• 1、 Tok, Fatih,Ko?yi?it-Kaymak??o?lu, Bedia,Sa?l?k, Begüm Nurpelin,Levent, Serkan,?zkay, Yusuf,Kaplanc?kl?, Zafer As?m. "Synthesis and biological evaluation of new pyrazolone Schiff bases as monoamine oxidase and cholinesterase inhibitors". . p. 41 - 50. Retrieved 2018/11/27.
• 2、 Nanda,Padmanavan,Tripathy,Mittra. "Heterocyclic fungicides. Part I". . p. 533 - 537. Retrieved 2007/10/04.