3-methyl-5-phenoxy-1-phenyl-1H-pyrazole-4-carbaldehyde

Base Information

• Chemical Name: 3-methyl-5-phenoxy-1-phenyl-1H-pyrazole-4-carbaldehyde
• CAS No.: 30241-46-4
• Molecular Formula: C17H14N2O2
• Molecular Weight: 278.31
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID10368123
• Nikkaji Number: J2.332.898D
• Wikidata: Q82154459
• ChEMBL ID: CHEMBL1491819
• Mol file: 30241-46-4.mol

Synonyms:3-methyl-5-phenoxy-1-phenyl-1H-pyrazole-4-carbaldehyde;30241-46-4;3-methyl-5-phenoxy-1-phenylpyrazole-4-carbaldehyde;MLS000391700;CHEMBL1491819;DTXSID10368123;HMS2607L04;MFCD02711484;STK060342;AKOS000121661;SMR000260735;EN300-01085;SR-01000030109;SR-01000030109-1;Z56799226;1-Phenyl-3-methyl-5-phenoxy-1H-pyrazole-4-carbaldehyde

Chemical Property of 3-methyl-5-phenoxy-1-phenyl-1H-pyrazole-4-carbaldehyde

Chemical Property:

• Vapor Pressure: 2.63E-07mmHg at 25°C
• Boiling Point: 421.3°Cat760mmHg
• Flash Point: 208.6°C
• PSA: 44.12000
• Density: 1.16g/cm³
• LogP: 3.78550
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 278.105527694
• Heavy Atom Count: 21
• Complexity: 338

Purity/Quality:

99% ^*data from raw suppliers

3-Methyl-5-phenoxy-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: CC1=NN(C(=C1C=O)OC2=CC=CC=C2)C3=CC=CC=C3

Technology Process of 3-methyl-5-phenoxy-1-phenyl-1H-pyrazole-4-carbaldehyde

There total 7 articles about 3-methyl-5-phenoxy-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: 92.0%

5-chloro-4-formyl-3-methyl-1-phenyl-1H-pyrazole (947-95-5) + phenol (108-95-2,27073-41-2) → 3-methyl-5-phenoxy-1-phenyl-1H-pyrazole-4-carbaldehyde (30241-46-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 4h; Reflux;

DOI:10.2478/s11532-011-0041-7

Reference yield:

edaravone (89-25-8) → 3-methyl-5-phenoxy-1-phenyl-1H-pyrazole-4-carbaldehyde (30241-46-4)

Guidance literature:

Multi-step reaction with 2 steps

1: trichlorophosphate

2: potassium carbonate / N,N-dimethyl-formamide / Reflux

With potassium carbonate; trichlorophosphate; In N,N-dimethyl-formamide;

DOI:10.1016/j.cclet.2011.09.012

Reference yield:

phenylhydrazine (100-63-0) → 3-methyl-5-phenoxy-1-phenyl-1H-pyrazole-4-carbaldehyde (30241-46-4)

Guidance literature:

Multi-step reaction with 5 steps

1: ethanol

2: hydrogenchloride / ethanol; water

3: sodium hydroxide / ethanol; water

4: trichlorophosphate

5: potassium carbonate / N,N-dimethyl-formamide

With hydrogenchloride; potassium carbonate; sodium hydroxide; trichlorophosphate; In ethanol; water; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2012.09.107

upstream raw materials:

5-chloro-4-formyl-3-methyl-1-phenyl-1H-pyrazole

phenol

edaravone

5-methyl-2-phenyl-2H-pyrazol-3-ol

Downstream raw materials:

C₂₅H₁₉ClN₂O₂

C₂₅H₁₉N₃O₄

C₂₆H₂₂N₂O₃

phenyl 3-methyl-5-phenoxy-1-phenyl-1H-pyrazole-4-carboxylate