2,5-Dimethylpyrazolidin-3-one

Base Information

• Chemical Name: 2,5-Dimethylpyrazolidin-3-one
• CAS No.: 54945-11-8
• Molecular Formula: C5H10N2O
• Molecular Weight: 114.14600
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00546352
• Mol file: 54945-11-8.mol

Synonyms:1,3-dimethyl-5-pyrazolidone;54945-11-8;2,5-dimethylpyrazolidin-3-one;2,5-dimethyl-3-pyrazolidinone;SCHEMBL14853550;DTXSID00546352;MFCD07368280;AKOS006286530;AS-12051;A830417

Chemical Property of 2,5-Dimethylpyrazolidin-3-one

Chemical Property:

• PSA: 32.34000
• LogP: 0.00830
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 114.079312947
• Heavy Atom Count: 8
• Complexity: 113

Purity/Quality:

98%Min ^*data from raw suppliers

1,3-Dimethyl-5-pyrazolidone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(=O)N(N1)C

Technology Process of 2,5-Dimethylpyrazolidin-3-one

There total 2 articles about 2,5-Dimethylpyrazolidin-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: 55.0%

(RS)-tert-butyl 2,5-dimethyl-3-oxopyrazolidine-1-carboxylate (204197-22-8) → (RS)-2,5-dimethylpyrazolidin-3-one (54945-11-8)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃;

DOI:10.1016/j.tet.2010.09.021

Reference yield:

crotonic acid methyl ester (623-43-8) + methylhydrazine (60-34-4) → (RS)-2,5-dimethylpyrazolidin-3-one (54945-11-8) + 1,5-dimethyl-pyrazolidin-3-one (10044-48-1)

Guidance literature:

With potassium hydroxide; In isopropyl alcohol; Solvent; Reagent/catalyst; Inert atmosphere;

DOI:10.1021/acs.oprd.7b00091

upstream raw materials:

(RS)-tert-butyl 2,5-dimethyl-3-oxopyrazolidine-1-carboxylate

crotonic acid methyl ester

methylhydrazine

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