4-(1H-pyrazol-1-yl)butanoic acid

Base Information

• Chemical Name: 4-(1H-pyrazol-1-yl)butanoic acid
• CAS No.: 110525-56-9
• Molecular Formula: C₇H₁₀N₂O₂
• Molecular Weight: 154.169
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID00149281
• Nikkaji Number: J881.074E
• Wikidata: Q83015020
• Mol file: 110525-56-9.mol

Synonyms:4-(1H-pyrazol-1-yl)butanoic acid;110525-56-9;Pyrazole-1-butyric acid;1H-Pyrazole-1-butanoic acid;4-pyrazol-1-ylbutanoic acid;4-PYRAZOL-1-YL-BUTYRIC ACID;MFCD01693645;4-(1H-pyrazol-1-yl)butanoic acid(SALTDATA: FREE);1H-Pyrazole-1-butyric acid;SCHEMBL3489062;DTXSID00149281;4-(1H-pyrazol-1-yl)butanoicacid;BBL013882;STL146715;AKOS000161645;VS-04033;LS-128070;CS-0216542;FT-0717297;EN300-50351;F2130-0208;Z285049638

Chemical Property of 4-(1H-pyrazol-1-yl)butanoic acid

Chemical Property:

• Vapor Pressure: 4.64E-05mmHg at 25°C
• Boiling Point: 335.7°C at 760 mmHg
• Flash Point: 156.8°C
• PSA: 55.12000
• Density: 1.21g/cm³
• LogP: 0.74790
• XLogP3: 0
• 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

4-Pyrazol-1-yl-butyric acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(N=C1)CCCC(=O)O

Technology Process of 4-(1H-pyrazol-1-yl)butanoic acid

There total 1 articles about 4-(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:

4-Pyrazol-1-yl-butyric acid ethyl ester (110525-55-8) → 4-(1H-pyrazol-1-yl)butanoic acid (110525-56-9)

Guidance literature:

With sodium hydroxide; In water; acetone; for 4h; Ambient temperature;

Reference yield: 38.0%

4-(1H-pyrazol-1-yl)butanoic acid (110525-56-9) → 6,7-dihydropyrazolo[1,5-a]pyridine-4(5H)-one (197094-19-2)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; -78 deg C 15 min, -45 deg C 1 h and room t., 3.5 h;

DOI:10.1055/s-1997-955

upstream raw materials:

4-Pyrazol-1-yl-butyric acid ethyl ester

Downstream raw materials:

6,7-dihydropyrazolo[1,5-a]pyridine-4(5H)-one

Refernces

• 1、 Varasi,Tarzia,Luzzani,Gallico,Barone. "Heterocyclic GABA analogues. Displacement of radiolabelled 3H-GABA from rat brain membrane preparations". . p. 425 - 435. Retrieved 2007/10/02.