2-Azetidinone, 1-(4-methoxyphenyl)-3,3-dimethyl-4-phenyl-

Base Information

• Chemical Name: 2-Azetidinone, 1-(4-methoxyphenyl)-3,3-dimethyl-4-phenyl-
• CAS No.: 128897-27-8
• Molecular Formula: C18H19NO2
• Molecular Weight: 281.354
• DSSTox Substance ID: DTXSID50452732
• Nikkaji Number: J605.327K
• Pharos Ligand ID: X8PF2RYRQWZQ
• ChEMBL ID: CHEMBL3220605
• Mol file: 128897-27-8.mol

Synonyms:2-Azetidinone, 1-(4-methoxyphenyl)-3,3-dimethyl-4-phenyl-;128897-27-8;SCHEMBL8103610;CHEMBL3220605;DTXSID50452732;CSZHSDQORHZWBJ-UHFFFAOYSA-N;3,3-Dimethyl-4-phenyl-1-(4-methoxyphenyl)azetidin-2-one;N-(4-methoxy-phenyl)-3,3-dimethyl-4-phenylazetidin-2-one

Chemical Property of 2-Azetidinone, 1-(4-methoxyphenyl)-3,3-dimethyl-4-phenyl-

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 281.141578849
• Heavy Atom Count: 21
• Complexity: 379

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(C(N(C1=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3)C

Technology Process of 2-Azetidinone, 1-(4-methoxyphenyl)-3,3-dimethyl-4-phenyl-

There total 14 articles about 2-Azetidinone, 1-(4-methoxyphenyl)-3,3-dimethyl-4-phenyl- 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: 98.0%

methacrylic acid methyl ester (80-62-6,114512-63-9,143476-91-9,25188-98-1,9011-14-7) + 4-methoxy-N-[(E)-phenylmethylidene]aniline (1613-90-7) → 1-(4-methoxyphenyl)-3,3-dimethyl-4-phenyl-2-azetidinone (128897-27-8)

Guidance literature:

With chloro(1,5-cyclooctadiene)rhodium(I) dimer; diethylzinc; In hexane; N,N-dimethyl-formamide; at 0 - 20 ℃; for 24h; Reagent/catalyst; Inert atmosphere; Schlenk technique;

DOI:10.3762/bjoc.12.157

Reference yield: 88.0%

[4-(benzylideneamino)phenyl]methanol (783-08-4) + Ethyl isobutyrate (97-62-1) → 1-(4-methoxyphenyl)-3,3-dimethyl-4-phenyl-2-azetidinone (128897-27-8)

Guidance literature:

With potassium tert-butylate; In N,N-dimethyl-formamide; for 12h; Ambient temperature;

DOI:10.1055/s-1994-25579

Reference yield: 79.0%

ethyl 2-bromoisobutyrate (600-00-0) + 4-methoxy-N-[(E)-phenylmethylidene]aniline (1613-90-7) → 1-(4-methoxyphenyl)-3,3-dimethyl-4-phenyl-2-azetidinone (128897-27-8)

Guidance literature:

With iodine; zinc; In 1,4-dioxane; at 20 ℃; for 0.0833333h; sonication;

DOI:10.1016/j.tet.2004.01.002

upstream raw materials:

[4-(benzylideneamino)phenyl]methanol

Thioisobutyric acid S-pyridin-2-yl ester

Ethyl isobutyrate

methyl iodide