1-Benzyl-1H-pyrazol-3(2H)-one

Base Information

• Chemical Name: 1-Benzyl-1H-pyrazol-3(2H)-one
• CAS No.: 21074-40-8
• Molecular Formula: C10H10N2O
• Molecular Weight: 174.202
• DSSTox Substance ID: DTXSID60480142
• Wikidata: Q82314717
• Mol file: 21074-40-8.mol

Synonyms:1-Benzyl-1H-pyrazol-3(2H)-one;21074-40-8;1-Benzyl-1H-pyrazol-3-ol;3H-Pyrazol-3-one, 1,2-dihydro-1-(phenylmethyl)-;2-benzyl-1H-pyrazol-5-one;SCHEMBL3380473;SCHEMBL8011610;DTXSID60480142;AKOS016000970;1-benzyl-1,2-dihydro-3H-pyrazol-3-one;1-benzyl-2,3-dihydro-1H-pyrazol-3-one;CS-0370296;EN300-814837;Z1813195083

Chemical Property of 1-Benzyl-1H-pyrazol-3(2H)-one

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 174.079312947
• Heavy Atom Count: 13
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C=CC(=O)N2

Technology Process of 1-Benzyl-1H-pyrazol-3(2H)-one

There total 2 articles about 1-Benzyl-1H-pyrazol-3(2H)-one 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: 80.2%

2-(1-Benzyl-1H-pyrazol-3-yloxy)-2-methyl-propionic acid (62299-19-8) → poly(methacrylic acid) (79-41-4,25087-26-7,50867-57-7) + 1-benzyl-3-hydroxy-1H-pyrazole (21074-40-8)

Guidance literature:

Heating;

DOI:10.1002/prac.19983400506

Reference yield:

→ 1-benzyl-3-hydroxy-1H-pyrazole (21074-40-8)

Guidance literature:

DOI:10.1016/S0040-4020(01)96855-3

Reference yield: 7.0%

3-(dimethylamino)propyl chloride hydrochloride (5407-04-5) + 1-benzyl-3-hydroxy-1H-pyrazole (21074-40-8) → [3-(1-benzyl-1H-pyrazol-3-yloxy)-propyl]-dimethyl-amine

Guidance literature:

1-benzyl-3-hydroxy-1H-pyrazole; With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 0.25h;

3-(dimethylamino)propyl chloride hydrochloride; In N,N-dimethyl-formamide; at 100 ℃; for 2h; Further stages.;

DOI:10.1021/jm001034k

upstream raw materials:

2-(1-Benzyl-1H-pyrazol-3-yloxy)-2-methyl-propionic acid

Downstream raw materials:

1-benzyl-4-morpholin-4-ylmethyl-1,2-dihydro-pyrazol-3-one

(1-Benzyl-1H-pyrazol-3-yloxy)-acetic acid

2-(1-Benzyl-1H-pyrazol-3-yloxy)-2-methyl-propionic acid

(1-Benzyl-4,4-dibromo-5-oxo-4,5-dihydro-1H-pyrazol-3-yloxy)-acetic acid