3-(1H-Pyrazol-1-yl)butanoic acid

Base Information

• Chemical Name: 3-(1H-Pyrazol-1-yl)butanoic acid
• CAS No.: 890092-84-9
• Molecular Formula: C₇H₁₀N₂O₂
• Molecular Weight: 154.169
• Hs Code.: 2933199090
• European Community (EC) Number: 816-830-9
• DSSTox Substance ID: DTXSID00390170
• Mol file: 890092-84-9.mol

Synonyms:3-(1H-Pyrazol-1-yl)butanoic acid;890092-84-9;3-Pyrazol-1-yl-butyric acid;3-pyrazol-1-ylbutanoic acid;3-Pyrazol-1-yl-butyricacid;SCHEMBL17868459;DTXSID00390170;LLMHIHGJTUQQRA-UHFFFAOYSA-N;3-(1H-Pyrazol-1-yl)butanoicacid;MFCD06589818;STL587136;AKOS000270485;AKOS016039971;SDCCGMLS-0065690.P001;LS-09431;CS-0058340;FT-0768613;3-(1H-Pyrazol-1-yl)butanoic acid, AldrichCPR;EN300-237849;F1986-0002;Z431537238

Chemical Property of 3-(1H-Pyrazol-1-yl)butanoic acid

Chemical Property:

• Vapor Pressure: 0.000459mmHg at 25°C
• Boiling Point: 301.7°C at 760 mmHg
• Flash Point: 136.3°C
• PSA: 55.12000
• Density: 1.22g/cm³
• LogP: 0.91880
• XLogP3: 0.1
• 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-(1H-Pyrazol-1-yl)butanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(=O)O)N1C=CC=N1

Technology Process of 3-(1H-Pyrazol-1-yl)butanoic acid

There total 2 articles about 3-(1H-Pyrazol-1-yl)butanoic 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: 74.0%

NH-pyrazole (288-13-1) + 2-butenoic acid (3724-65-0) → 3-(1H-pyrazol-1-yl)butanoic acid (890092-84-9)

Guidance literature:

at 85 - 90 ℃; for 3h;

DOI:10.1134/S1070363217030318

Reference yield: 65.0%

NH-pyrazole (288-13-1) + but-3-enoic acid (625-38-7) → 3-(1H-pyrazol-1-yl)butanoic acid (890092-84-9)

Guidance literature:

at 140 ℃; for 5h;

DOI:10.1134/S1070428020080229

upstream raw materials:

NH-pyrazole

2-butenoic acid

but-3-enoic acid