1-Benzylpyrazolidin-3-one

Base Information

• Chemical Name: 1-Benzylpyrazolidin-3-one
• CAS No.: 17826-70-9
• Molecular Formula: C10H12 N2 O
• Molecular Weight: 176.218
• Hs Code.: 2933990090
• ChEMBL ID: CHEMBL1418903
• DSSTox Substance ID: DTXSID90405060
• Wikidata: Q82209437
• Mol file: 17826-70-9.mol

Synonyms:1-benzylpyrazolidin-3-one;17826-70-9;1-benzyl-pyrazolidin-3-one;1-benzyltetrahydro-3H-pyrazol-3-one;3-Pyrazolidinone, 1-(phenylmethyl)-;MLS001166293;SMR000549632;121599-80-2;Oprea1_438446;CHEMBL1418903;SCHEMBL11136048;BDBM72878;cid_4637348;DTXSID90405060;1-(phenylmethyl)-3-pyrazolidinone;1-(phenylmethyl)pyrazolidin-3-one;HMS2870P17;MFCD00232080;AKOS005090253;CS-0318409;4D-090

Chemical Property of 1-Benzylpyrazolidin-3-one

Chemical Property:

• PSA: 32.34000
• LogP: 1.19020
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 176.094963011
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

98% ^*data from raw suppliers

1-benzyltetrahydro-3H-pyrazol-3-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(NC1=O)CC2=CC=CC=C2

Technology Process of 1-Benzylpyrazolidin-3-one

There total 2 articles about 1-Benzylpyrazolidin-3-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:

tetrahydro-3H-pyrazol-3-one hydrochloride (1752-88-1) + benzyl bromide (100-39-0) → 1-benzyl-pyrazolidin-3-one (17826-70-9)

Guidance literature:

With potassium carbonate; sodium iodide; In acetonitrile; Heating;

DOI:10.1021/ja066425o

Reference yield:

→ 1-benzyl-pyrazolidin-3-one (17826-70-9)

Guidance literature:

Acrylsaeure-ethylester, Benzylhydrazin; nb. 1-Benzylpyrazolidon-(5);

DOI:10.1002/mrc.1270010310

Reference yield: 30.0%

1-benzyl-pyrazolidin-3-one (17826-70-9) → 1-benzyl-3-thioxopyrazolidin (166879-79-4)

Guidance literature:

With Lawessons reagent; In dichloromethane; at 20 ℃; for 10h;

DOI:10.3987/COM-94-6746

upstream raw materials:

tetrahydro-3H-pyrazol-3-one hydrochloride

benzyl bromide

Downstream raw materials:

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

1-benzyl-3-pyrazolidinone-2-carboxylic acid methyl ester

1-benzyl-3-thioxopyrazolidin

1-benzyl-2-[(E)-2-butenoyl]-pyrazolidin-3-one