3-(1-methyl-1H-pyrazol-4-yl)propanoic acid

Base Information

• Chemical Name: 3-(1-methyl-1H-pyrazol-4-yl)propanoic acid
• CAS No.: 796845-56-2
• Molecular Formula: C7H10N2O2
• Molecular Weight: 154.17
• Hs Code.: 2933199090
• European Community (EC) Number: 675-256-5
• DSSTox Substance ID: DTXSID80426901
• Wikidata: Q82239694
• Mol file: 796845-56-2.mol

Synonyms:3-(1-methyl-1H-pyrazol-4-yl)propanoic acid;796845-56-2;3-(1-methylpyrazol-4-yl)propanoic Acid;1H-Pyrazole-4-propanoic acid, 1-methyl-;3-(1-METHYL-1 H-PYRAZOL-4-YL)-PROPIONIC ACID;3-(1-Methyl-1H-pyrazol-4-yl)-propionic acid;SCHEMBL4414182;DTXSID80426901;MFCD04969921;STK312881;AKOS000262762;AM804362;AS-65475;3-(1-methyl-1H-pyrazol-4-yl)propanoicacid;FT-0760017;3-(1-Methyl-1H-pyrazol-4-yl)-propionicacid;EN300-51411;F2169-0848;Z335291662

Chemical Property of 3-(1-methyl-1H-pyrazol-4-yl)propanoic acid

Chemical Property:

• Vapor Pressure: 0.000191mmHg at 25°C
• Boiling Point: 315°C at 760 mmHg
• Flash Point: 144.3°C
• PSA: 55.12000
• Density: 1.22g/cm³
• 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:

98%min ^*data from raw suppliers

3-(1-Methyl-1H-pyrazol-4-yl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(1-methyl-1H-pyrazol-4-yl)propanoic acid

There total 1 articles about 3-(1-methyl-1H-pyrazol-4-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:

→ 3-(1-methylpyrazol-4-yl)propanoic acid (796845-56-2)

Guidance literature:

Reference yield: 83.0%

methanol (67-56-1) + 3-(1-methylpyrazol-4-yl)propanoic acid (796845-56-2) → methyl 3-(1-methyl-1H-pyrazol-4-yl)propanoate (224776-32-3)

Guidance literature:

With thionyl chloride; at 0 ℃; for 0.5h;

Reference yield:

3-(1-methylpyrazol-4-yl)propanoic acid (796845-56-2) + C20-O-trityl-prostratin-ol (1262389-74-1) → C46H50N2O6

Guidance literature:

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 25 ℃; for 2h;

Downstream raw materials:

methyl 3-(1-methyl-1H-pyrazol-4-yl)propanoate

2-(1-methyl-1H-pyrazol-4-yl)ethanamine