5-chloro-3-methyl-1-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde

Base Information

• Chemical Name: 5-chloro-3-methyl-1-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde
• CAS No.: 350997-70-5
• Molecular Formula: C₁₂H₁₁ClN₂O
• Molecular Weight: 234.685
• European Community (EC) Number: 673-183-3
• Mol file: 350997-70-5.mol

Synonyms:350997-70-5;5-chloro-3-methyl-1-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde;5-chloro-3-methyl-1-(4-methylphenyl)pyrazole-4-carbaldehyde;5-Chloro-3-Methyl-1-(p-tolyl)-1H-pyrazole-4-carbaldehyde;5-Chloro-3-methyl-1-(p-tolyl)-1H-pyrazole-4-carboxaldehyde;MFCD01993680;5-Chloro-3-methyl-1-p-tolyl-1H-pyrazole-4-carbaldehyde;SCHEMBL15329692;STK348660;AKOS000118649;FS-5876;CS-0307837;FT-0716385;EN300-08531;AN-655/40688210;SR-01000050407;SR-01000050407-1;Z56968516;1H-Pyrazole-4-carbaldehyde, 5-chloro-3-methyl-1-p-tolyl-;5-Chloro-3-methyl-1-(4-methylphenyl)-1H-pyrazole-4-carboxaldehyde

Chemical Property of 5-chloro-3-methyl-1-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde

Chemical Property:

• Vapor Pressure: 1.5E-05mmHg at 25°C
• Boiling Point: 366.1±42.0 °C(Predicted)
• PKA: -3.61±0.10(Predicted)
• Density: 1.24±0.1 g/cm3(Predicted)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 234.0559907
• Heavy Atom Count: 16
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

5-Chloro-3-methyl-1-(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)N2C(=C(C(=N2)C)C=O)Cl

Technology Process of 5-chloro-3-methyl-1-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde

There total 3 articles about 5-chloro-3-methyl-1-(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: 41.71%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 3-methyl-1-(4-methylphenyl)-2-pyrazolin-5-one (86-92-0) → 5-chloro-3-methyl-1-(p-tolyl)-1H-pyrazole-4-carbaldehyde (350997-70-5)

Guidance literature:

With trichlorophosphate; at 120 ℃; for 0.333333h;

DOI:10.1055/a-1296-8835

Reference yield: 41.71%

→ 5-chloro-3-methyl-1-(p-tolyl)-1H-pyrazole-4-carbaldehyde (350997-70-5)

Guidance literature:

With trichlorophosphate; for 1h; Cooling with ice;

at 100 - 120 ℃; for 0.333333h; Inert atmosphere; Cooling with ice;

Reference yield:

N-4-methylphenylhydrazine (539-44-6) → 5-chloro-3-methyl-1-(p-tolyl)-1H-pyrazole-4-carbaldehyde (350997-70-5)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol; water / 60 °C

2: trichlorophosphate / 50 - 60 °C

With trichlorophosphate; In ethanol; water;

DOI:10.3390/molecules20010807

upstream raw materials:

N,N-dimethyl-formamide

3-methyl-1-(4-methylphenyl)-2-pyrazolin-5-one

N-4-methylphenylhydrazine

Downstream raw materials:

C₁₈H₁₅FN₂OS

C₁₉H₁₈N₂OS

3-methyl-5-(4-methylphenoxy)-1-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde

3-methyl-5-(4-chlorophenoxy)-1-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde

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