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

Base Information

• Chemical Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazole-4-carbaldehyde
• CAS No.: 377767-11-8
• Molecular Formula: C₁₁H₈ClFN₂O
• Molecular Weight: 238.649
• DSSTox Substance ID: DTXSID70368124
• Wikidata: Q82154460
• Mol file: 377767-11-8.mol

Synonyms:377767-11-8;5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazole-4-carbaldehyde;5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbaldehyde;SCHEMBL15329669;DTXSID70368124;CQA76711;MFCD02711490;AKOS008966362;EN300-01042;SR-01000030111;SR-01000030111-1;Z56799232;T0504-9586

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

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 238.0309187
• Heavy Atom Count: 16
• Complexity: 258

Purity/Quality:

97% ^*data from raw suppliers

5-Chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazole-4-carbaldehyde 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

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

There total 2 articles about 5-chloro-1-(4-fluorophenyl)-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:

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 2-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one (100553-83-1) → C11H8ClFN2O (377767-11-8)

Guidance literature:

With trichlorophosphate; at 50 - 60 ℃;

DOI:10.3390/molecules20010807

Reference yield:

4-fluorophenylhydrazine (371-14-2) → C11H8ClFN2O (377767-11-8)

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

Reference yield: 86.0%

C11H8ClFN2O (377767-11-8) + 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile (51516-70-2) → (E)-5-(((5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl)methylene)amino)-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile

Guidance literature:

In ethanol; at 80 ℃; for 2h;

DOI:10.1016/j.cclet.2016.10.029

upstream raw materials:

N,N-dimethyl-formamide

2-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one

4-fluorophenylhydrazine

Downstream raw materials:

C₂₀H₁₂FN₅

C₂₂H₁₆FN₅

C₂₀H₁₆ClFN₄S

C₁₉H₁₅ClFN₃O