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

Base Information

• Chemical Name: 5-chloro-1-(3-chlorophenyl)-3-methyl-1H-pyrazole-4-carbaldehyde
• CAS No.: 77509-92-3
• Molecular Formula: C₁₁H₈Cl₂N₂O
• Molecular Weight: 255.103
• DSSTox Substance ID: DTXSID601169033
• Mol file: 77509-92-3.mol

Synonyms:5-chloro-1-(3-chlorophenyl)-3-methyl-1H-pyrazole-4-carbaldehyde;77509-92-3;5-chloro-1-(3-chlorophenyl)-3-methylpyrazole-4-carbaldehyde;SCHEMBL11380421;DTXSID601169033;BBL003463;MFCD03980997;STK520595;AKOS001054010;VS-01341;EN300-05013;SR-01000042694;SR-01000042694-1;Z56910459;5-Chloro-1-(3-chlorophenyl)-3-methyl-1H-pyrazole-4-carboxaldehyde

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

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 254.0013683
• Heavy Atom Count: 16
• Complexity: 264

Purity/Quality:

97% ^*data from raw suppliers

5-Chloro-1-(3-chlorophenyl)-3-methyl-1H-pyrazole-4-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=NN(C(=C1C=O)Cl)C2=CC(=CC=C2)Cl

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

There total 2 articles about 5-chloro-1-(3-chlorophenyl)-3-methyl-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: 70.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 3-methyl-1-(3-chlorophenyl)-2-pyrazolin-5-one (90-31-3) → 5-chloro-1-(3-chlorophenyl)-3-methyl-1H-pyrazole-4-carbaldehyde (77509-92-3)

Guidance literature:

With trichlorophosphate; at 0 - 100 ℃; for 4.5h;

DOI:10.1016/j.molstruc.2021.130665

Reference yield:

3-chlorophenyl hydrazine (14763-20-3) → 5-chloro-1-(3-chlorophenyl)-3-methyl-1H-pyrazole-4-carbaldehyde (77509-92-3)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid; ethanol

2: trichlorophosphate / 4 h / 90 °C

With ethanol; acetic acid; trichlorophosphate; 2: |Vilsmeier-Haack Formylation;

DOI:10.1002/jhet.1038

Reference yield: 90.0%

p-cresol (106-44-5) + 5-chloro-1-(3-chlorophenyl)-3-methyl-1H-pyrazole-4-carbaldehyde (77509-92-3) → 3-methyl-5-(4-methylphenyloxy)-1-(3-chlorophenyl)-1H-pyrazole-4-carbaldehyde (1333899-80-1)

Guidance literature:

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

DOI:10.2478/s11532-011-0041-7

upstream raw materials:

N,N-dimethyl-formamide

3-methyl-1-(3-chlorophenyl)-2-pyrazolin-5-one

3-chlorophenyl hydrazine

Downstream raw materials:

5-Chloro-4-[[1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethoxy]methyl]-3-methyl-1-(m-chlorophenyl)-1H-pyrazole, hydrochloride

C₂₆H₁₉ClN₄O₄

C₂₇H₂₁ClN₄O₄

C₂₆H₁₈Cl₂N₄O₄

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