2-Oxetanone, 3-methyl-4-(2-phenylethyl)-, (3R,4S)-

Base Information

Chemical Name:2-Oxetanone, 3-methyl-4-(2-phenylethyl)-, (3R,4S)-
CAS No.:652150-81-7
Molecular Formula:C12H14O2
Molecular Weight:190.242
Hs Code.:
DSSTox Substance ID:DTXSID40452105
Nikkaji Number:J1.326.211J
Wikidata:Q82272494

Synonyms:2-Oxetanone, 3-methyl-4-(2-phenylethyl)-, (3R,4S)-;652150-81-7;DTXSID40452105;3alpha-Methyl-4alpha-phenethyloxetane-2-one

Suppliers and Price of 2-Oxetanone, 3-methyl-4-(2-phenylethyl)-, (3R,4S)-

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
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Total 0 raw suppliers

Chemical Property of 2-Oxetanone, 3-methyl-4-(2-phenylethyl)-, (3R,4S)-

Chemical Property:

Boiling Point:304.5±11.0 °C(Predicted)
PSA：26.30000
Density:1.076±0.06 g/cm3(Predicted)
LogP:2.18070
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:190.099379685
Heavy Atom Count:14
Complexity:206

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1C(OC1=O)CCC2=CC=CC=C2
Isomeric SMILES:C[C@@H]1[C@@H](OC1=O)CCC2=CC=CC=C2

Technology Process of 2-Oxetanone, 3-methyl-4-(2-phenylethyl)-, (3R,4S)-

There total 2 articles about 2-Oxetanone, 3-methyl-4-(2-phenylethyl)-, (3R,4S)- 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: 84.0%

: 104-53-0
3-phenyl-propionaldehyde

: 79-03-8
propionyl chloride

: 652150-81-7
(3R,4S)-3-methyl-4-phenethyloxyetan-2-one

Guidance literature:: With (1S,2R,4S,5R)-2-[(S)-(6-methoxyquinolin-4-yl)((trimethylsilyl)oxy)methyl]-5-vinylquinuclidine; lithium perchlorate; N-ethyl-N,N-diisopropylamine; In diethyl ether; dichloromethane; at -78 ℃;
DOI:10.1021/ja0492900

Reference yield:

: 104-53-0
3-phenyl-propionaldehyde

: 598-22-1
propanoyl bromide

: 652150-81-7
(3R,4S)-3-methyl-4-phenethyloxyetan-2-one

: (3S,4R)-3-methyl-4-(2-phenylethyl)oxetan-2-one

: 3-methyl-4-phenethyl-oxetan-2-one

Guidance literature:: With (S,S)-ArSO₂NCH(i-Pr)CH₂N(CH₂CF₃)CH₂CH(i-Pr)NSO₂CF₃*AlMe; N-ethyl-N,N-diisopropylamine; In various solvent(s); at -25 ℃; for 14h; Title compound not separated from byproducts;
DOI:10.1021/ja0391208