ethyl 5-amino-1-(2-fluorophenyl)-1H-pyrazole-4-carboxylate

Base Information

• Chemical Name: ethyl 5-amino-1-(2-fluorophenyl)-1H-pyrazole-4-carboxylate
• CAS No.: 618070-65-8
• Molecular Formula: C12H12FN3O2
• Molecular Weight: 249.24
• Hs Code.: 2933199090
• European Community (EC) Number: 855-858-6
• DSSTox Substance ID: DTXSID10402435
• Wikidata: Q72472370
• Mol file: 618070-65-8.mol

Synonyms:ethyl 5-amino-1-(2-fluorophenyl)-1H-pyrazole-4-carboxylate;618070-65-8;Ethyl 5-amino-1-(2-fluorophenyl)pyrazole-4-carboxylate;SCHEMBL3520425;DTXSID10402435;ethyl5-amino-1-(2-fluorophenyl)-1H-pyrazole-4-carboxylate;AMY12004;BBL013115;MFCD03407403;STK351067;AKOS000260668;ethyl 2-(2-fluorophenyl)-3-imino-2,3-dihydro-1H-pyrazole-4-carboxylate;A8557;CS-0061564;FT-0753147;EN300-29716;F17257;Z317046494;1955541-59-9

Chemical Property of ethyl 5-amino-1-(2-fluorophenyl)-1H-pyrazole-4-carboxylate

Chemical Property:

• PSA: 70.14000
• LogP: 2.35150
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 249.09135480
• Heavy Atom Count: 18
• Complexity: 303

Purity/Quality:

97% ^*data from raw suppliers

Ethyl 5-amino-1-(2-fluorophenyl)-1H-pyrazole-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2F)N

Technology Process of ethyl 5-amino-1-(2-fluorophenyl)-1H-pyrazole-4-carboxylate

There total 3 articles about ethyl 5-amino-1-(2-fluorophenyl)-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: 60.0%

2-cyano-3-methoxyacrylic acid ethyl ester (68350-76-5) + 2-fluorophenylhydrazine (2368-80-1) → C12H12FN3O2 (618070-65-8)

Guidance literature:

With triethylamine; In ethanol; at 60 ℃; for 1h;

DOI:10.1016/j.bmcl.2010.10.034

Reference yield:

2-fluorophenylhydrazine (2368-80-1) + ethyl (ethoxymethylene)cyanoacetate (94-05-3,42466-69-3) → C12H12FN3O2 (618070-65-8)

Guidance literature:

In ethanol; at 80 ℃;

DOI:10.1016/j.bmc.2020.115640

Reference yield:

2-Fluoroaniline (348-54-9) → C12H12FN3O2 (618070-65-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: hydrogenchloride; sodium nitrite / water; dichloromethane / 1.5 h / 0 - 20 °C

1.2: 6 h / 0 °C

2.1: ethanol / 80 °C

With hydrogenchloride; sodium nitrite; In ethanol; dichloromethane; water;

DOI:10.1016/j.bmc.2020.115640

upstream raw materials:

2-cyano-3-methoxyacrylic acid ethyl ester

2-fluorophenylhydrazine

2-Fluoroaniline

ethyl (ethoxymethylene)cyanoacetate

Downstream raw materials:

5-amino-1-(2-fluorophenyl)-1H-pyrazole-4-carboxylic acid

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 618070-65-8 ethyl 5-amino-1-(2-fluorophenyl)-1H-pyrazole-4-carboxylate

Send

Send

Metric Ton KG G Pound L ML

Send

Send