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

Base Information

• Chemical Name: Ethyl 1-methyl-3-phenyl-1H-pyrazole-5-carboxylate
• CAS No.: 10250-63-2
• Molecular Formula: C13H14 N2 O2
• Molecular Weight: 230.266
• Hs Code.: 2933199090
• European Community (EC) Number: 632-195-9
• DSSTox Substance ID: DTXSID60400163
• Nikkaji Number: J1.087.531E
• Wikidata: Q82203005
• Mol file: 10250-63-2.mol

Synonyms:Ethyl 1-methyl-3-phenyl-1H-pyrazole-5-carboxylate;10250-63-2;ethyl 2-methyl-5-phenylpyrazole-3-carboxylate;ethyl 1-methyl-3-phenylpyrazole-5-carboxylate;allyldiethylphosphonoacetate;SCHEMBL3664984;DTXSID60400163;JDJQHVJXMXXKFO-UHFFFAOYSA-N;AMY27589;MFCD03933288;AKOS015908904;CS-W000420;DS-15120;FT-0740025;Y10536;A896791;ethyl 1-methyl-3-phenyl-1H-5-pyrazolecarboxylate;1-Methyl-3-phenyl-1H-pyrazole-5-carboxylic acid ethyl ester;1H-Pyrazole-5-carboxylicacid,1-methyl-3-phenyl-,ethyl ester;2-Methyl-5-phenyl-2H-pyrazole-3-carboxylic acid ethyl ester;1H-Pyrazole-5-carboxylic acid, 1-methyl-3-phenyl-, ethyl ester

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

Chemical Property:

• Vapor Pressure: 5.39E-06mmHg at 25°C
• Boiling Point: 380.6°Cat760mmHg
• Flash Point: 184°C
• PSA: 44.12000
• Density: 1.13g/cm³
• LogP: 2.26380
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.4
• 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:

98%,99%, ^*data from raw suppliers

Ethyl 1-Methyl-3-phenylpyrazole-5-carboxylate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Harmful:

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC(=NN1C)C2=CC=CC=C2

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

There total 9 articles about Ethyl 1-methyl-3-phenyl-1H-pyrazole-5-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: 47.0%

ethyl 2,4-dioxo-4-phenylbutyrate (6296-54-4) + methylhydrazine (60-34-4) → 1-methyl-3-phenyl-1H-prazole-5-carboxylic acid ethyl ester (10250-63-2) + 1-methyl-5-phenyl-1H-prazole-3-carboxylic acid ethyl ester (10199-51-6)

Guidance literature:

In ethanol; at 20 ℃; for 2.25h; Inert atmosphere; Reflux;

Reference yield: 46.2%

methylhydrazine (60-34-4) + ethyl (3Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoate (472800-84-3) → 1-methyl-3-phenyl-1H-prazole-5-carboxylic acid ethyl ester (10250-63-2) + 1-methyl-5-phenyl-1H-prazole-3-carboxylic acid ethyl ester (10199-51-6)

Guidance literature:

In ethanol; for 5h; Heating;

DOI:10.1021/jo0344337

Reference yield: 23.9%

ethyl 2,4-dioxo-4-phenylbutyrate (6296-54-4) + methylhydrazine sulfuric acid (302-15-8) → 1-methyl-3-phenyl-1H-prazole-5-carboxylic acid ethyl ester (10250-63-2)

Guidance literature:

With sodium hydroxide; In ethanol; at 70 ℃;

upstream raw materials:

ethanol

methyl hydrazine hydrochloride

methylhydrazine

ethyl (3Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoate

Downstream raw materials:

2-Methyl-5-phenyl-2H-pyrazole-3-carboxylic acid

Refernces

• 1、 -. "C3-CARBON LINKED GLUTARIMIDE DEGRONIMERS FOR TARGET PROTEIN DEGRADATION". Page/Page column 305. . Retrieved 2017/12/05.
• 2、 -. "ANTIBACTERIAL BENZOIC ACID DERIVATIVES". Page 92. . Retrieved 2010/02/06.