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

Base Information

• Chemical Name: 3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
• CAS No.: 36640-42-3
• Molecular Formula: C17H14 N2 O2
• Molecular Weight: 278.31
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID00355143
• Nikkaji Number: J2.060.484K
• Wikidata: Q82133824
• ChEMBL ID: CHEMBL1580883
• Mol file: 36640-42-3.mol

Synonyms:3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde;36640-42-3;3-(4-Methoxy-phenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde;3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbaldehyde;MLS001210273;SMR000517358;cid_792340;CHEMBL1580883;SCHEMBL11258989;BDBM69696;DTXSID00355143;HMS2820J13;MFCD01131646;STK346955;AKOS000115398;NS-04558;CS-0199787;EN300-01043;A918584;3-(4-methoxyphenyl)-1-phenyl-4-pyrazolecarboxaldehyde;3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carbaldehyde;BRD-K14149205-001-06-4;Z56787299;1-Phenyl-3-(4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde

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

Chemical Property:

• Vapor Pressure: 4.21E-09mmHg at 25°C
• Boiling Point: 472.6°Cat760mmHg
• Flash Point: 239.6°C
• PSA: 44.12000
• Density: 1.16g/cm³
• LogP: 3.36040
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 278.105527694
• Heavy Atom Count: 21
• Complexity: 336

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Methoxyphenyl)-1-phenyl-1h-pyrazole-4-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=NN(C=C2C=O)C3=CC=CC=C3
• Uses: 3-(4-Methoxyphenyl)-1-phenyl-1h-pyrazole-4-carbaldehyde

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

There total 22 articles about 3-(4-methoxyphenyl)-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: 92.5%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 4-methoxyacetophenone phenylhydrazone (24310-46-1) → 3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxaldehyde (36640-42-3)

Guidance literature:

With trichlorophosphate;

Reference yield: 81.0%

C17H15N3O2 (1400634-72-1) → 3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxaldehyde (36640-42-3)

Guidance literature:

With hydrogenchloride; sodium nitrite; In methanol; water; for 3h; Cooling with ice; Inert atmosphere;

DOI:10.1016/j.tet.2019.06.048

Reference yield: 79.0%

Vilsmeier reagent (3724-43-4,149409-22-3) + 4-methoxyacetophenone phenylhydrazone (24310-46-1) → 3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxaldehyde (36640-42-3)

Guidance literature:

In N,N-dimethyl-formamide; at 20 - 60 ℃; for 0.166667h; Microwave irradiation; Sealed tube;

DOI:10.1002/jhet.3824

upstream raw materials:

N,N-dimethyl-formamide

4-methoxyacetophenone phenylhydrazone

phenylhydrazine

1-(4-methoxyphenyl)ethanone

Downstream raw materials:

2-[3-(4-Methoxy-phenyl)-1-phenyl-1H-pyrazol-4-ylmethylene]-malonic acid diethyl ester

3-(3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylic acid

2-[3-(4-Methoxy-phenyl)-1-phenyl-1H-pyrazol-4-ylmethylene]-malonic acid

1-phenyl-3-(4-methoxyphenyl)pyrazole-4-carboxaldehyde oxime