Ethyl 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylate

Base Information

• Chemical Name: Ethyl 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylate
• CAS No.: 191419-15-5
• Molecular Formula: C₁₃H₁₃ClN₂O₂
• Molecular Weight: 264.711
• DSSTox Substance ID: DTXSID001192313
• Mol file: 191419-15-5.mol

Synonyms:DTXSID001192313;Ethyl 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylate;191419-15-5

Chemical Property of Ethyl 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylate

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 264.0665554
• Heavy Atom Count: 18
• Complexity: 295

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=C(N(N=C1C2=CC=CC=C2)C)Cl

Technology Process of Ethyl 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylate

There total 3 articles about Ethyl 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylate 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: 59.0%

ethanol (64-17-5) + 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylic acid (191419-14-4) → 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester (191419-15-5)

Guidance literature:

With sulfuric acid;

DOI:10.1002/jhet.5570340210

Reference yield:

5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxaldehyde (883-38-5) → 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester (191419-15-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 67 percent / KMnO₄

2: 59 percent / H₂SO₄

With potassium permanganate; sulfuric acid;

DOI:10.1002/jhet.5570340210

Reference yield:

1-methyl-3-phenyl-5-hydroxyl-1H-pyrazol (34347-81-4) → 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester (191419-15-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) POCl₃, 3.) POCl₃

2: 67 percent / KMnO₄

3: 59 percent / H₂SO₄

With potassium permanganate; sulfuric acid; trichlorophosphate;

DOI:10.1002/jhet.5570340210

upstream raw materials:

ethanol

5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylic acid

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

1-methyl-3-phenyl-5-hydroxyl-1H-pyrazol