1-ethyl-1H-pyrazol-4-amine

Base Information

• Chemical Name: 1-ethyl-1H-pyrazol-4-amine
• CAS No.: 876343-24-7
• Molecular Formula: C5H9N3
• Molecular Weight: 111.147
• Hs Code.: 2933199090
• European Community (EC) Number: 814-391-8
• DSSTox Substance ID: DTXSID10427002
• Wikidata: Q72477013
• ChEMBL ID: CHEMBL4527358
• Mol file: 876343-24-7.mol

Synonyms:1-ethyl-1H-pyrazol-4-amine;876343-24-7;1-ethyl-1h-pyrazol-4-ylamine;4-AMINO-1-ETHYLPYRAZOLE;1-ethylpyrazol-4-amine;MFCD05861667;1-Ethyl-1H-pyrazol-4-amine;1H-Pyrazol-4-amine, 1-ethyl-;1-ethylpyrazole-4-ylamine;ethyl-1H-pyrazol-4-amine;SCHEMBL174144;1-ethyl-4-amino-1H-pyrazole;4-amino-1-ethyl-1H-pyrazole;CHEMBL4527358;DTXSID10427002;1ethyl1hpyrazol4amine hydrocloride;HENLKZLWIDJRSC-UHFFFAOYSA-N;STK347835;AKOS000205045;PB34103;BP-21178;SY024886;TS-01553;AM20110260;BB 0251957;CS-0052571;FT-0677826;EN300-36278;1-ETHYL-1H-PYRAZOL-4-AMINE HYDROCLORIDE;A848281

Chemical Property of 1-ethyl-1H-pyrazol-4-amine

Chemical Property:

• Boiling Point: 238.622 °C at 760 mmHg
• PKA: 3.72±0.10(Predicted)
• Flash Point: 98.115 °C
• PSA: 43.84000
• Density: 1.163 g/cm³
• LogP: 1.06640
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 111.079647300
• Heavy Atom Count: 8
• Complexity: 74.1

Purity/Quality:

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

4-Amino-1-ethyl-1H-pyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C=C(C=N1)N
• Uses: 1-ethyl-1H-pyrazol-4-amine can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.

Technology Process of 1-ethyl-1H-pyrazol-4-amine

There total 3 articles about 1-ethyl-1H-pyrazol-4-amine 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: 100.0%

1-ethyl-4-nitro-1H-pyrazole (58793-45-6) → 1-ethyl-1H-pyrazol-4-amine (876343-24-7)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethanol; for 3h; under 2585.81 Torr; Inert atmosphere;

Reference yield:

4-nitro-1H-pyrazole (2075-46-9) + ethyl iodide (75-03-6) → 1-ethyl-1H-pyrazol-4-amine (876343-24-7)

Guidance literature:

4-nitro-1H-pyrazole; ethyl iodide; With potassium carbonate; In acetonitrile; at 60 ℃; for 18h;

With hydrogen; palladium on activated charcoal; In methanol; for 18h;

Reference yield:

→ 1-ethyl-1H-pyrazol-4-amine (876343-24-7)

Guidance literature:

upstream raw materials:

1-ethyl-4-nitro-1H-pyrazole

4-nitro-1H-pyrazole

ethyl iodide

Downstream raw materials:

N¹-(4-chlorophenyl)-N²-(1-ethyl-1H-pyrazol-4-yl)oxalamide

2,6-dichloro-N-(2-((1-ethyl-1H-pyrazol-4-yl)amino)pyridin-4-yl)benzamide

Refernces

• 1、 -. "FGFR Inhibitor compounds and uses thereof". Paragraph 0474; 0477; 0482-0483. . Retrieved 2021/11/21.
• 2、 -. "2-substituted parazoleamino-4-substituted amino-5-pyrimidine formamide compound, composition and application thereof". Paragraph 0091; 0098; 0100. . Retrieved 2019/04/10.