3-(4-Nitrophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde

Base Information

• Chemical Name: 3-(4-Nitrophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
• CAS No.: 21487-49-0
• Molecular Formula: C16H11 N3 O3
• Molecular Weight: 293.282
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID30359997
• Nikkaji Number: J2.159.739B
• Wikidata: Q82141476
• ChEMBL ID: CHEMBL2397428
• Mol file: 21487-49-0.mol

Synonyms:21487-49-0;3-(4-NITROPHENYL)-1-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE;3-(4-Nitro-phenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde;3-(4-nitrophenyl)-1-phenylpyrazole-4-carbaldehyde;CHEMBL2397428;SCHEMBL23928543;DTXSID30359997;MFCD01131658;AKOS003609787;NS-04921;CS-0219961;EN300-05431;Z56800526;1-Phenyl-3-(4-nitrophenyl)-1H-pyrazole-4-carbaldehyde

Chemical Property of 3-(4-Nitrophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde

Chemical Property:

• Vapor Pressure: 1.36E-10mmHg at 25°C
• Boiling Point: 511.9°Cat760mmHg
• Flash Point: 263.4°C
• PSA: 80.71000
• Density: 1.31g/cm³
• LogP: 3.78320
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 293.08004122
• Heavy Atom Count: 22
• Complexity: 398

Purity/Quality:

99% ^*data from raw suppliers

3-(4-Nitrophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C=O

Technology Process of 3-(4-Nitrophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde

There total 17 articles about 3-(4-Nitrophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde 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: 81.0%

4-(N,N-diethyl)methanamine-3-(4-nitrophenyl)-1H-1-phenylpyrazole → 3-(4-nitrophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde (21487-49-0)

Guidance literature:

With Selectfluor; In acetonitrile; for 2h; Reflux;

DOI:10.1055/s-0034-1381050

Reference yield: 81.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + phenylhydrazine (100-63-0) + (4-nitrophenyl)ethanone (100-19-6) → 3-(4-nitrophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde (21487-49-0)

Guidance literature:

phenylhydrazine; (4-nitrophenyl)ethanone; With acetic acid; In ethanol; Heating;

N,N-dimethyl-formamide; With trichlorophosphate; at 10 ℃; Heating;

DOI:10.14233/ajchem.2013.13131

Reference yield: 80.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 1-(4-nitro-phenyl)-ethanone-phenylhydrazone (77635-72-4) → 3-(4-nitrophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde (21487-49-0)

Guidance literature:

N,N-dimethyl-formamide; With trichlorophosphate; at 0 ℃;

1-(4-nitro-phenyl)-ethanone-phenylhydrazone; at 20 ℃; Reflux;

DOI:10.1016/j.bmc.2013.04.018

upstream raw materials:

N,N-dimethyl-formamide

1-(4-nitro-phenyl)-ethanone-phenylhydrazone

acetophenone p-nitrophenylhydrazone

phenylhydrazine

Downstream raw materials:

1-(2-hydroxyphenyl)-3-[(1-phenyl-3-(4-nitrophenyl)-4-pyrazolyl)]prop-2-en-1-one

C₂₈H₂₈N₆O₉S

1-phenyl-3-(4-nitrophenyl)-1H-pyrazole-4-carboxaldehyde semicarbazone

C₂₄H₁₇N₃O₄