3-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde

Base Information

• Chemical Name: 3-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde
• CAS No.: 350988-62-4
• Molecular Formula: C11H10 N2 O
• Molecular Weight: 186.213
• Hs Code.: 2933199090
• European Community (EC) Number: 673-185-4
• DSSTox Substance ID: DTXSID20375282
• Wikidata: Q82163813
• Mol file: 350988-62-4.mol

Synonyms:350988-62-4;3-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde;5-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde;3-(p-Tolyl)-1H-pyrazole-4-carbaldehyde;3-p-Tolyl-1H-pyrazole-4-carbaldehyde;3-(4-Methylphenyl)-1H-pyrazole-4-carboxaldehyde;5-(p-Tolyl)-1H-pyrazole-4-carbaldehyde;3-P-Tolyl-1h-Pyrazole-4-Carboxaldehyde;SCHEMBL1335295;DTXSID20375282;MFCD01133694;STK118088;AKOS000112498;AKOS001476245;5-p-Tolyl-1H-pyrazole-4-carbaldehyde;3-(p-tolyl)-1h-pyrazole-4-carboxaldehyde;A6156;BB 0249023;BB 0251460;CS-0312592;FT-0691916;EN300-24711;F83642;11P-168;J-516267;Z203240892;3-(4-Methylphenyl)-1H-pyrazole-4-carbaldehyde, AldrichCPR

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

Chemical Property:

• Vapor Pressure: 2.59E-07mmHg at 25°C
• Boiling Point: 421.5oC at 760 mmHg
• Flash Point: 210.2oC
• PSA: 45.75000
• Density: 1.207g/cm3
• LogP: 2.19760
• Sensitive.: Air Sensitive
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 186.079312947
• Heavy Atom Count: 14
• Complexity: 200

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Methylphenyl)-1H-pyrazole-4-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=C(C=NN2)C=O

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

There total 3 articles about 3-(4-methylphenyl)-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: 54.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + p-methyl acetophenone semicarbazone (3352-98-5) → 3-(p-tolyl)-1H-pyrazole-4-carboxaldehyde (350988-62-4)

Guidance literature:

With trichlorophosphate; at 40 - 80 ℃;

DOI:10.1007/s11176-005-0318-7

Reference yield:

p-methyl acetophenone semicarbazone (3352-98-5) → 3-(p-tolyl)-1H-pyrazole-4-carboxaldehyde (350988-62-4)

Guidance literature:

With trichlorophosphate; In N,N-dimethyl-formamide; at 0 - 70 ℃; for 6.5h;

DOI:10.2174/1573406412666160822160156

Reference yield:

para-methylacetophenone (122-00-9) → 3-(p-tolyl)-1H-pyrazole-4-carboxaldehyde (350988-62-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: AcONa / ethanol / 0.75 h / Heating

1.2: ethanol / 1 h / Heating

2.1: 54 percent / POCl₃ / 40 - 80 °C

With sodium acetate; trichlorophosphate; In ethanol; 2.1: Vilsmeier formylation;

DOI:10.1007/s11176-005-0318-7

upstream raw materials:

N,N-dimethyl-formamide

p-methyl acetophenone semicarbazone

para-methylacetophenone

Downstream raw materials:

C₁₄H₁₄N₆S

C₁₆H₁₈N₆S

1-methyl-3-(p-tolyl)-1H-pyrazole-4-carbaldehyde

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