3-(1-methyl-1H-pyrazol-5-yl)propanoic acid

Base Information

• Chemical Name: 3-(1-methyl-1H-pyrazol-5-yl)propanoic acid
• CAS No.: 796845-50-6
• Molecular Formula: C₇H₁₀N₂O₂
• Molecular Weight: 154.169
• Hs Code.: 2933199090
• European Community (EC) Number: 895-317-1
• Mol file: 796845-50-6.mol

Synonyms:3-(1-methyl-1H-pyrazol-5-yl)propanoic acid;796845-50-6;3-(2-Methyl-2H-pyrazol-3-yl)-propionic acid;3-(2-methylpyrazol-3-yl)propanoic acid;AKOS B028493;MFCD06808507;SCHEMBL6133307;BNIMNWBBWQHMIM-UHFFFAOYSA-N;BBL100238;STK347036;AKOS000302368;MS-20689;DB-356380;3-(1-methyl-1H-pyrazol-5-yl)propanoicacid;CS-0058342;EN300-92662;Z1198171512

Chemical Property of 3-(1-methyl-1H-pyrazol-5-yl)propanoic acid

Chemical Property:

• PSA: 55.12000
• LogP: 0.43730
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 154.074227566
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(1-methyl-1H-pyrazol-5-yl)propanoic acid

There total 4 articles about 3-(1-methyl-1H-pyrazol-5-yl)propanoic acid 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: 71.0%

ethyl 3-(1-methylpyrazol-5-yl)-2-propanoate (796845-49-3) → 3-(1-methyl-1H-pyrazol-5-yl)propanoic acid (796845-50-6)

Guidance literature:

With sodium hydroxide; water; In ethanol; at 70 ℃; for 1h;

DOI:10.1016/j.bmc.2007.11.074

Reference yield:

3-(1-methyl-1H-pyrazol-5-yl)acrylic acid → 3-(1-methyl-1H-pyrazol-5-yl)propanoic acid (796845-50-6)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; for 2h;

Reference yield:

1-methyl-1H-pyrazole-5-carbaldehyde (27258-33-9) → 3-(1-methyl-1H-pyrazol-5-yl)propanoic acid (796845-50-6)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine; piperidine / 3.5 h / 70 °C

2: palladium on activated charcoal; hydrogen / methanol / 2 h

With piperidine; pyridine; palladium on activated charcoal; hydrogen; In methanol;

upstream raw materials:

ethyl 3-(1-methylpyrazol-5-yl)-2-propanoate

1-methyl-1H-pyrazole-5-carbaldehyde

ethyl (2E)-3-(1-methylpyrazol-5-yl)-2-propenoate

Downstream raw materials:

tert-butyl 2-(1-methylpyrazol-5-yl)ethylcarbamate

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