1-Ethyl-1H-pyrazol-5-amine

Base Information

• Chemical Name: 1-Ethyl-1H-pyrazol-5-amine
• CAS No.: 3528-58-3
• Molecular Formula: C5H9N3
• Molecular Weight: 111.147
• Hs Code.: 2933199090
• NSC Number: 354694
• DSSTox Substance ID: DTXSID40320092
• Nikkaji Number: J456.557F
• Wikidata: Q72436915
• Mol file: 3528-58-3.mol

Synonyms:1-Ethyl-1H-pyrazol-5-amine;3528-58-3;5-Amino-1-ethylpyrazole;2-ethylpyrazol-3-amine;1-Ethyl-5-aminopyrazole;1H-Pyrazol-5-amine, 1-ethyl-;C5H9N3;2-Ethyl-2H-pyrazol-3-ylamine;MFCD00010849;NSC 354694;(2-Ethyl-2H-pyrazol-3-yl)amine;NSC354694;1-ethyl-5-aminopyrazol;5-amino-1-ethyl-pyrazole;Pyrazole, 5-amino-1-ethyl-;SCHEMBL221665;2-Ethyl-2H-pyrazol-3-amine;1-ethyl-1H-pyrazole-5-amine;5-Amino-1-ethyl-1H-pyrazole;2-ETHYL-3-AMINOPYRAZOLE;5-Amino-1-ethylpyrazole, 99%;1-Ethyl-1H-pyrazol-5-amine #;AMY3954;DTXSID40320092;BBL040281;STK350103;AKOS000123173;CS-W011272;NSC-354694;PB15601;AS-19802;BP-13239;SY042021;A6200;BB 0257515;FT-0634889;EN300-10339;W-202446;Z56347291;F2169-1172

Chemical Property of 1-Ethyl-1H-pyrazol-5-amine

Chemical Property:

• Vapor Pressure: 0.042mmHg at 25°C
• Melting Point: 52-57 °C(lit.)
• Refractive Index: 1.579
• Boiling Point: 238.6 °C at 760 mmHg
• PKA: 4.18±0.10(Predicted)
• Flash Point: 98.1 °C
• PSA: 43.84000
• Density: 1.16 g/cm³
• LogP: 1.06640
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.2
• 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

1-Ethyl-1H-pyrazol-5-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCN1C(=CC=N1)N
• Uses: 5-Amino-1-ethylpyrazole is a heterocyclic building block, has been used in the preparation of 1-protected-1H-pyrazolo[3,4-b]pyridines.

Technology Process of 1-Ethyl-1H-pyrazol-5-amine

There total 10 articles about 1-Ethyl-1H-pyrazol-5-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: 81.0%

1-(Ethylamino)pyrazole (137968-19-5) → 5-Amino-1-ethylpyrazole (3528-58-3)

Guidance literature:

With hydrogen bromide; at 140 ℃;

DOI:10.1021/jo00031a042

Reference yield: 15.0%

acetaldehyde (75-07-0,9002-91-9) + acrylonitrile (107-13-1,25014-41-9) → 5-Amino-1-ethylpyrazole (3528-58-3)

Guidance literature:

acrylonitrile; With hydrazine hydrate; In tetrahydrofuran; at 0 - 20 ℃;

acetaldehyde; In tetrahydrofuran; at 20 ℃;

With potassium tert-butylate; In butan-1-ol; at 20 - 120 ℃;

Reference yield:

1-ethyl-5-nitropyrazole (58793-47-8) → 5-Amino-1-ethylpyrazole (3528-58-3)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In tetrahydrofuran; at 20 ℃; for 19h;

upstream raw materials:

acetaldehyde

3-hydrazinylpropanenitrile

1-(Ethylamino)pyrazole

Acetaldehyd-N-(2-cyan-ethyl)-hydrazon

Downstream raw materials:

N-(1-ethylpyrazol-5-yl)-5-bromoanthranilic acid

N-(1-ethylpyrazol-5-yl)-anthranilic acid

1-ethyl-4-hydroxy-6-(2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid,ethyl ester

1-ethyl-5-salicyloyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine

Refernces

• 1、 -. "PHOSPHODIESTARASE INHIBITORS". Page/Page column 30-31. . Retrieved 2010/05/13.
• 2、 -. "PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PDE4 INHIBITORS". Page/Page column 110. . Retrieved 2008/06/13.