Ethyl 5-Methyl-1-phenylpyrazole-3-carboxylate

Base Information

• Chemical Name: Ethyl 5-Methyl-1-phenylpyrazole-3-carboxylate
• CAS No.: 81153-64-2
• Molecular Formula: C13H14N2O2
• Molecular Weight: 230.266
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID00447719
• Nikkaji Number: J337.012G
• Wikidata: Q82266601
• Mol file: 81153-64-2.mol

Synonyms:81153-64-2;Ethyl 5-Methyl-1-phenylpyrazole-3-carboxylate;ethyl 5-methyl-1-phenyl-1H-pyrazole-3-carboxylate;5-methyl-1-phenyl-1h-pyrazole-3-carboxylic acid ethyl ester;1H-Pyrazole-3-carboxylic acid, 5-methyl-1-phenyl-, ethyl ester;3-Ethoxycarbonyl-1-phenyl-5-methylpyrazole;SCHEMBL3299372;DTXSID00447719;YBPIMHCENGHGMJ-UHFFFAOYSA-N;MFCD00221427;AKOS015842431;AM80900;AS-48254;BB 0219923;CS-0455879;FT-0678228;F30035;A864594;ethyl 5-methyl-1-phenyl-1H-3-pyrazolecarboxylate;5-methyl-1-phenylpyrazole 3-carboxylic acid ethyl ester;1-Phenyl-5-methyl-1H-pyrazole-3-carboxylic acid ethyl ester

Chemical Property of Ethyl 5-Methyl-1-phenylpyrazole-3-carboxylate

Chemical Property:

• Vapor Pressure: 4.22E-05mmHg at 25°C
• Melting Point: 128 - 130oC
• Refractive Index: 1.568
• Boiling Point: 128-130oC/2.25mm
• Flash Point: 166.1oC
• PSA: 44.12000
• Density: 1.13g/cm3
• LogP: 2.35740
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 230.105527694
• Heavy Atom Count: 17
• Complexity: 264

Purity/Quality:

97% ^*data from raw suppliers

Ethyl5-methyl-1-phenylpyrazole-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=NN(C(=C1)C)C2=CC=CC=C2

Technology Process of Ethyl 5-Methyl-1-phenylpyrazole-3-carboxylate

There total 15 articles about Ethyl 5-Methyl-1-phenylpyrazole-3-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: 95.0%

Diethyl (2-oxopropyl)phosphonate (1067-71-6) + ethyl (phenylhydrazono)chloroacetate (28663-68-5) → 5-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester (81153-64-2)

Guidance literature:

With lithium hydroxide; In 1,2-dimethoxyethane; at 20 ℃; for 10h; regioselective reaction;

DOI:10.1016/j.tetlet.2013.12.045

Reference yield: 87.0%

ethyl 2-diazo-4-phenyl-3-pentenoate (126580-15-2) → 5-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester (81153-64-2)

Guidance literature:

In octane; at 110 ℃; for 1h;

DOI:10.1021/jo00300a035

Reference yield: 75.3%

phenylhydrazine hydrochloride (59-88-1) + ethyl 2,4-diketopentanoate (615-79-2) → 5-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester (81153-64-2)

Guidance literature:

In ethanol; for 6h; Reflux;

upstream raw materials:

phenylhydrazine

ethyl 2,4-diketopentanoate

ethyl 2-diazo-4-phenyl-3-pentenoate

ethanol

Downstream raw materials:

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

6-[m-(5-Methyl-1-phenylpyrazole-3-carboxamido)phenyl]-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole

CH₃O₄S^(1-)*C₁₄H₁₇N₂O₂⁽¹⁺⁾

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 81153-64-2 5-METHYL-1-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER

Send

Send

Metric Ton KG G Pound L ML

Send

Send