Ethyl 2-(1H-pyrazol-1-yl)acetate

Base Information

• Chemical Name: Ethyl 2-(1H-pyrazol-1-yl)acetate
• CAS No.: 10199-61-8
• Molecular Formula: C7H10N2O2
• Molecular Weight: 154.169
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID40404028
• Nikkaji Number: J3.001.154F
• Wikidata: Q82207982
• Mol file: 10199-61-8.mol

Synonyms:10199-61-8;Ethyl 2-(1H-pyrazol-1-yl)acetate;Ethyl 2-(1-Pyrazolyl)acetate;Ethyl 2-pyrazol-1-ylacetate;Ethyl (1H-pyrazol-1-yl)acetate;ethyl 2-(pyrazol-1-yl)acetate;1H-Pyrazole-1-acetic acid, ethyl ester;ethyl 1H-pyrazol-1-ylacetate;MFCD00159620;Pyrazol-1-yl-acetic acid ethyl ester;Pyrazol-1-yl acetic acid ethyl ester;SCHEMBL1093819;DTXSID40404028;SEHJVNBWAGPXSM-UHFFFAOYSA-N;1H-Pyrazole-1-aceticacid,ethyl ester;AKOS003673629;SY025207;BB 0241516;CS-0312916;FT-0680416;W10260;4Y-0601;A896979;J-520575;F2183-1353

Chemical Property of Ethyl 2-(1H-pyrazol-1-yl)acetate

Chemical Property:

• Vapor Pressure: 0.0463mmHg at 25°C
• Refractive Index: 1.524
• Boiling Point: 236.9 °C at 760 mmHg
• Flash Point: 97 °C
• PSA: 44.12000
• Density: 1.14 g/cm³
• LogP: 0.44620
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 154.074227566
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

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

Ethyl2-(1H-Pyrazol-1-yl)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CN1C=CC=N1

Technology Process of Ethyl 2-(1H-pyrazol-1-yl)acetate

There total 5 articles about Ethyl 2-(1H-pyrazol-1-yl)acetate 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: 92.0%

NH-pyrazole (288-13-1) + ethyl bromoacetate (105-36-2) → pyrazol-1-yl acetic acid ethyl ester (10199-61-8)

Guidance literature:

With potassium carbonate; In acetonitrile; for 3h; Reflux;

DOI:10.1016/j.tetasy.2014.11.015

Reference yield: 72.0%

NH-pyrazole (288-13-1) + chloroacetic acid ethyl ester (105-39-5) → pyrazol-1-yl acetic acid ethyl ester (10199-61-8)

Guidance literature:

With potassium carbonate; In acetone; at 80 ℃; for 6h;

Reference yield: 55.0%

ethyl bromoacetate (105-36-2) → pyrazol-1-yl acetic acid ethyl ester (10199-61-8)

Guidance literature:

With NH-pyrazole; sodium; In ethanol;

upstream raw materials:

NH-pyrazole

chloroacetic acid ethyl ester

ethyl bromoacetate

Downstream raw materials:

pyrazol-1-yl-acetic acid

2-(4-nitro-1H-pyrazol-1-yl)acetic acid

2-(1H-pyrazol-1-yl)acetohydrazide

2-(4-amino-pyrazol-1-yl)-N-phenyl-acetamide

Refernces

• 1、 Alghamdi, Saad,Almehmadi, Mazen M.,Asif, Mohammad. "Antimicrobial Evaluation, Synthesis, and Characterization of Some 1-(5-((1H-Pyrazol-1-yl)methyl)-2-aryl-1,3,4-oxadiazol-3(2H)-yl)ethanone Derivatives". . p. 577 - 582. Retrieved 2022/01/26.
• 2、 Hernández-Fernández, Eugenio,Sánchez-Lara, Pedro Pablo,Ordó?ez, Mario,Ramírez-Marroquín, Oscar Abelardo,Avalos-Alanís, Francisco G.,López-Cortina, Susana,Jiménez-Pérez, Víctor M.,Ibarra-Rivera, Tannya Rocio. "Synthesis of β-hydroxyacetamides from unactivated ethyl acetates under base-free conditions and microwave irradiation". . p. 73 - 78. Retrieved 2015/02/02.