Ethyl 2-(1H-pyrazol-3-yl)acetate

Base Information

• Chemical Name: Ethyl 2-(1H-pyrazol-3-yl)acetate
• CAS No.: 82668-50-6
• Molecular Formula: C₇H₁₀N₂O₂
• Molecular Weight: 154.169
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID50515977
• Wikidata: Q72503587
• Mol file: 82668-50-6.mol

Synonyms:82668-50-6;Ethyl 2-(1H-pyrazol-3-yl)acetate;Ethyl 2-(3-Pyrazolyl)acetate;(1H-Pyrazol-3-yl)acetic acid ethyl ester;ethyl 2-(1H-pyrazol-5-yl)acetate;(1H-Pyrazol-3-yl)-acetic acid ethyl ester;MFCD11036165;Ethyl2-(3-Pyrazolyl)acetate;2-(1H-pyrazol-5-yl)acetic acid ethyl ester;SCHEMBL5591411;SCHEMBL15528277;ethyl (1h-pyrazol-3-yl)acetate;DTXSID50515977;Ethyl (1H-pyrazol-5-yl)acetate;ethyl 2-(1H-pyrazol-5-yl)ethanoate;1H-Pyrazol-3-acetic acid ethyl ester;AKOS006307281;AC-6393;SB13080;AMY202003240;DS-11675;SY030920;CS-0054104;FT-0731202;F12966;A840409;J-504715

Chemical Property of Ethyl 2-(1H-pyrazol-3-yl)acetate

Chemical Property:

• Refractive Index: 1.516
• Boiling Point: 289.5 °C at 760 mmHg
• PKA: 13.44±0.10(Predicted)
• Flash Point: 128.9 °C
• PSA: 54.98000
• Density: 1.183 g/cm³
• LogP: 0.51530
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 154.074227566
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

98%Min ^*data from raw suppliers

(1H-Pyrazol-3-yl)-aceticacidethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CC1=CC=NN1

Technology Process of Ethyl 2-(1H-pyrazol-3-yl)acetate

There total 4 articles about Ethyl 2-(1H-pyrazol-3-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: 94.0%

ethanol (64-17-5) + 2-(1H-pyrazol-3-yl)acetic acid (102732-63-8) → ethyl 2-(1H-pyrazol-3-yl)acetate (82668-50-6)

Guidance literature:

With sulfuric acid; Reflux;

Reference yield:

2-(1H-pyrazol-3-yl)acetohydrazide (144677-14-5) → ethyl 2-(1H-pyrazol-3-yl)acetate (82668-50-6)

Guidance literature:

Multi-step reaction with 2 steps

1: water; hydrogenchloride / 3 h / 100 °C

2: sulfuric acid / Reflux

With hydrogenchloride; sulfuric acid; water;

Reference yield:

5-nitro-2-hydroxypyridine (5418-51-9) → ethyl 2-(1H-pyrazol-3-yl)acetate (82668-50-6)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrazine hydrate / 3 h / Heating

2: hydrogenchloride / 3 h / 100 °C / Heating

3: sulfuric acid / Heating

With hydrogenchloride; hydrazine hydrate; sulfuric acid;

upstream raw materials:

2-(1H-pyrazol-3-yl)acetohydrazide

ethanol

2-(1H-pyrazol-3-yl)acetic acid

5-nitro-2-hydroxypyridine

Downstream raw materials:

2-(1H-pyrazol-3-yl)acetohydrazide

2-(1-methyl-1H-pyrazol-5-yl)acetic acid

2-(1-methyl-1H-pyrazol-3-yl)acetic acid

Refernces

• 1、 -. "PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS". . . Retrieved 2013/11/19.