ethyl (5-amino-3-methyl-1H-pyrazol-1-yl)acetate

Base Information

• Chemical Name: ethyl (5-amino-3-methyl-1H-pyrazol-1-yl)acetate
• CAS No.: 956440-82-7
• Molecular Formula: C₈H₁₃N₃O₂
• Molecular Weight: 183.21
• Hs Code.: 2933199090
• European Community (EC) Number: 863-163-4
• DSSTox Substance ID: DTXSID901258106
• Mol file: 956440-82-7.mol

Synonyms:956440-82-7;ethyl (5-amino-3-methyl-1H-pyrazol-1-yl)acetate;ethyl 2-(5-amino-3-methyl-1h-pyrazol-1-yl)acetate;ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;(5-Amino-3-methyl-pyrazol-1-yl)-acetic acid ethyl ester;SCHEMBL15656246;DTXSID901258106;BBL008544;MFCD06740572;STK263703;AKOS000314496;BB 0259397;CS-0241181;E89314;EN300-231757;Ethyl 5-amino-3-methyl-1H-pyrazole-1-acetate;ethyl2-(5-amino-3-methyl-1h-pyrazol-1-yl)acetate;Z1117910395

Chemical Property of ethyl (5-amino-3-methyl-1H-pyrazol-1-yl)acetate

Chemical Property:

• PSA: 70.14000
• LogP: 0.91800
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 183.100776666
• Heavy Atom Count: 13
• Complexity: 186

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl(5-Amino-3-methyl-1H-pyrazol-1-yl)acetate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of ethyl (5-amino-3-methyl-1H-pyrazol-1-yl)acetate

There total 1 articles about ethyl (5-amino-3-methyl-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:

Cyanoaceton (2469-99-0) + ethyl 2-hydrazinylacetate (637-80-9) → (5-amino-3-methyl-pyrazol-1-yl)-acetic acid ethyl ester (956440-82-7)

Guidance literature:

In chlorobenzene; Reflux;

DOI:10.1021/acs.jmedchem.1c00035

Reference yield:

(5-amino-3-methyl-pyrazol-1-yl)-acetic acid ethyl ester (956440-82-7) → 5-((5-amino-3-methyl-1H-pyrazol-1-yl)methyl)-N-(1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-amine

Guidance literature:

Multi-step reaction with 3 steps

1: hydrazine hydrate / ethanol / 55 °C

2: 1,4-dioxane; tetrahydrofuran / 8 h / 75 °C

3: sulfuric acid / 2 h / 20 °C

With sulfuric acid; hydrazine hydrate; In tetrahydrofuran; 1,4-dioxane; ethanol;

DOI:10.1002/cmdc.201700774

Reference yield:

(5-amino-3-methyl-pyrazol-1-yl)-acetic acid ethyl ester (956440-82-7) → C17H18ClFN8OS

Guidance literature:

Multi-step reaction with 2 steps

1: hydrazine hydrate / ethanol / 55 °C

2: 1,4-dioxane; tetrahydrofuran / 8 h / 75 °C

With hydrazine hydrate; In tetrahydrofuran; 1,4-dioxane; ethanol;

DOI:10.1002/cmdc.201700774

upstream raw materials:

Cyanoaceton

ethyl 2-hydrazinylacetate

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