3-Pyrazolidinone, 5,5-dimethyl-2-(1-oxo-2-propenyl)-1-(phenylmethyl)-

Base Information

Chemical Name:3-Pyrazolidinone, 5,5-dimethyl-2-(1-oxo-2-propenyl)-1-(phenylmethyl)-
CAS No.:657395-57-8
Molecular Formula:C15H18N2O2
Molecular Weight:258.32
Hs Code.:
DSSTox Substance ID:DTXSID50478715
Nikkaji Number:J2.105.184E
Wikidata:Q82312270

Synonyms:657395-57-8;2-acryloyl-1-benzyl-5,5-dimethylpyrazolidin-3-one;3-Pyrazolidinone, 5,5-dimethyl-2-(1-oxo-2-propenyl)-1-(phenylmethyl)-;DTXSID50478715;2-acryloyl-1-benzyl-5,5-dimethyl-3-pyrazolidinone

Suppliers and Price of 3-Pyrazolidinone, 5,5-dimethyl-2-(1-oxo-2-propenyl)-1-(phenylmethyl)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of 3-Pyrazolidinone, 5,5-dimethyl-2-(1-oxo-2-propenyl)-1-(phenylmethyl)-

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:258.136827821
Heavy Atom Count:19
Complexity:384

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CC(=O)N(N1CC2=CC=CC=C2)C(=O)C=C)C

Technology Process of 3-Pyrazolidinone, 5,5-dimethyl-2-(1-oxo-2-propenyl)-1-(phenylmethyl)-

There total 3 articles about 3-Pyrazolidinone, 5,5-dimethyl-2-(1-oxo-2-propenyl)-1-(phenylmethyl)- 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: 65.0%

: 2051-76-5
acrylic acid anhydride

: 131391-08-7
1-benzyl-5,5-dimethyl-pyrazolidin-3-one

: 657395-57-8
N⁽²⁾-acryloyl-N⁽¹⁾-benzyl-5,5-dimethylpyrazolidin-3-one

Guidance literature:: With lithium chloride; In tetrahydrofuran; at 0 ℃; for 12h;
DOI:10.1016/j.tet.2006.08.099

Reference yield:

: 638-10-8
ethyl 3-methylbut-2-enoate

: 657395-57-8
N⁽²⁾-acryloyl-N⁽¹⁾-benzyl-5,5-dimethylpyrazolidin-3-one

Guidance literature:: Multi-step reaction with 3 steps

1: 64 percent / hydrazine monohydrate / ethanol / 4 h / Heating

2: 85 percent / NaI; K₂CO₃ / butan-2-one / 3 h / Heating

3: 65 percent / lithium chloride / tetrahydrofuran / 12 h / 0 °C

With potassium carbonate; hydrazine hydrate; sodium iodide; lithium chloride; In tetrahydrofuran; ethanol; butanone;
DOI:10.1016/j.tet.2006.08.099

Reference yield:

: 42953-82-2
5,5-dimethylpyrazolidin-3-one

: 657395-57-8
N⁽²⁾-acryloyl-N⁽¹⁾-benzyl-5,5-dimethylpyrazolidin-3-one

Guidance literature:: Multi-step reaction with 2 steps

1: 85 percent / NaI; K₂CO₃ / butan-2-one / 3 h / Heating

2: 65 percent / lithium chloride / tetrahydrofuran / 12 h / 0 °C

With potassium carbonate; sodium iodide; lithium chloride; In tetrahydrofuran; butanone;
DOI:10.1016/j.tet.2006.08.099