1-Methyl-5-phenylpyrazolidin-3-one

Base Information

Chemical Name:1-Methyl-5-phenylpyrazolidin-3-one
CAS No.:14776-37-5
Molecular Formula:C10H12 N2 O
Molecular Weight:176.2151
Hs Code.:
NSC Number:14949
ChEMBL ID:CHEMBL1898485

Synonyms:1-Methyl-5-phenylpyrazolidin-3-one;MLS002638405;14776-37-5;3-Pyrazolidinone, 1-methyl-5-phenyl-;BRN 0641049;AI3-50811;U-6373;NSC14949;5-24-02-00471 (Beilstein Handbook Reference);SCHEMBL8430124;CHEMBL1898485;JNZGAKJBZUGXCU-UHFFFAOYSA-N;1-methyl-5-phenylpyrazolin-3-one;HMS3087G18;NSC 14949;NSC-14949;SMR001547888

Suppliers and Price of 1-Methyl-5-phenylpyrazolidin-3-one

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 4 raw suppliers

Chemical Property of 1-Methyl-5-phenylpyrazolidin-3-one

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:1.126g/cm³
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:176.094963011
Heavy Atom Count:13
Complexity:199

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C(CC(=O)N1)C2=CC=CC=C2

Technology Process of 1-Methyl-5-phenylpyrazolidin-3-one

There total 2 articles about 1-Methyl-5-phenylpyrazolidin-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: 57.0%

: 7780-06-5
isopropyl cinnamate

: 60-34-4
methylhydrazine

: 14776-37-5
1-methyl-5-phenylpyrazolidin-3-one

: 54945-12-9
2-methyl-5-phenyl-pyrazolidin-3-one

Guidance literature:: methylhydrazine; With potassium hydroxide; In isopropyl alcohol; at 60 - 65 ℃; Inert atmosphere;

isopropyl cinnamate; In isopropyl alcohol; at 65 ℃; for 84h; Inert atmosphere;
DOI:10.1021/acs.joc.7b03282

Reference yield:

: 14776-37-5
1-methyl-5-phenylpyrazolidin-3-one

Guidance literature:: Zimtsaeureethylester, Methylhydrazin; Ausb.:36,4percent;

Reference yield: 94.0%

: 14776-37-5
1-methyl-5-phenylpyrazolidin-3-one

: 3-bromo-1-methyl-5-phenyl-4,5-dihydro-1H-pyrazole

Guidance literature:: 1-methyl-5-phenylpyrazolidin-3-one; With tetraethylammonium bromide; triethylamine; In dichloromethane; at 20 - 35 ℃; Inert atmosphere;

With phosphorus(V) oxybromide; In dichloromethane; at 0 - 30 ℃; for 2h; Inert atmosphere;

With sodium hydroxide; In dichloromethane; water; at 20 - 25 ℃; for 0.5h; Inert atmosphere;
DOI:10.1021/acs.joc.7b03282