4-Ethyl-1H-pyrazol-3-amine

Base Information

• Chemical Name: 4-Ethyl-1H-pyrazol-3-amine
• CAS No.: 43024-15-3
• Molecular Formula: C5H9N3
• Molecular Weight: 111.15
• Hs Code.: 2933199090
• European Community (EC) Number: 840-217-5
• DSSTox Substance ID: DTXSID60472704
• Wikidata: Q72436918
• Mol file: 43024-15-3.mol

Synonyms:4-Ethyl-1H-pyrazol-3-amine;43024-15-3;3-Amino-4-ethylpyrazole;4-ethyl-1H-pyrazol-5-amine;203062-02-6;MFCD06797570;3-AMINO-4-ETHYL-1H-PYRAZOLE;SCHEMBL1010195;SCHEMBL9948186;DTXSID60472704;RDCODVKTTJWFAR-UHFFFAOYSA-N;BCP22267;AC-045;3-Amino-4-ethylpyrazole, AldrichCPR;AKOS010652670;AKOS015918378;AB29672;CS-W005001;AS-58937;SY107601;FT-0648275;EN300-82345;A851861;J-515281;Z1741979116

Chemical Property of 4-Ethyl-1H-pyrazol-3-amine

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.593
• Boiling Point: 307.224 °C at 760 mmHg
• PKA: 16.12±0.50(Predicted)
• Flash Point: 165.119 °C
• PSA: 54.70000
• Density: 1.157 g/cm³
• LogP: 1.13550
• Storage Temp.: 2-8°C(protect from light)
• Water Solubility.: Slightly soluble in water.
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• 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-ethyl-1H-pyrazol-3-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(NN=C1)N
• Uses: 3-Amino-4-ethyl-1H-pyrazole is employed as a intermediate for chemical research and pharmaceutical.

Technology Process of 4-Ethyl-1H-pyrazol-3-amine

There total 6 articles about 4-Ethyl-1H-pyrazol-3-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: 83.0%

3-amino-4-ethylpyrazole oxalate (1010800-27-7) → 4-ethyl-1H-pyrazole-3-amine (43024-15-3,203062-02-6)

Guidance literature:

With sodium hydrogencarbonate; In water;

DOI:10.1002/jlcr.1845

Reference yield: 20.0%

α-formyl-n-butyronitrile (43024-14-2) → 4-ethyl-1H-pyrazole-3-amine (43024-15-3,203062-02-6)

Guidance literature:

With acetic acid; hydrazine; In ethanol; Heating / reflux;

Reference yield:

α-formyl-n-butyronitrile (43024-14-2) → 4-ethyl-1H-pyrazol-5-amine (43024-15-3)

Guidance literature:

With hydrazine hydrate; acetic acid; In ethanol; for 2h; Yield given; Heating;

DOI:10.1021/jm00345a009

upstream raw materials:

propyl cyanide

Methyl formate

α-formyl-n-butyronitrile

formic acid ethyl ester

Refernces

• 1、 Johannes, Jeffrey W.,Denz, Christopher R.,Su, Nancy,Wu, Allan,Impastato, Anna C.,Mlynarski, Scott,Varnes, Jeffrey G.,Prince, D. Bryan,Cidado, Justin,Gao, Ning,Haddrick, Malcolm,Jones, Natalie H.,Li, Shaobin,Li, Xiuwei,Liu, Yang,Nguyen, Toan B.,O'Connell, Nichole,Rivers, Emma,Robbins, Daniel W.,Tomlinson, Ronald,Yao, Tieguang,Zhu, Xiahui,Ferguson, Andrew D.,Lamb, Michelle L.,Manchester, John I.,Guichard, Sylvie. "Structure-Based Design of Selective Noncovalent CDK12 Inhibitors". supporting information. p. 231 - 235. Retrieved 2018/02/06.
• 2、 Lavey, C. Flader,Hesk,Koharski,Truong,McNamara. "Synthesis of3H-, 13C3-, and 14C-labeled Sch 727965". experimental part. p. 196 - 201. Retrieved 2012/05/20.