3-[(Phenylsulfanyl)methyl]oxan-2-one

Base Information

Chemical Name:3-[(Phenylsulfanyl)methyl]oxan-2-one
CAS No.:71309-71-2
Molecular Formula:C12H14O2S
Molecular Weight:222.30300
Hs Code.:
DSSTox Substance ID:DTXSID60556098
Nikkaji Number:J1.901.266B

Synonyms:3-[(Phenylsulfanyl)methyl]oxan-2-one;71309-71-2;DTXSID60556098

Suppliers and Price of 3-[(Phenylsulfanyl)methyl]oxan-2-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
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price

Total 1 raw suppliers

Chemical Property of 3-[(Phenylsulfanyl)methyl]oxan-2-one

Chemical Property:

PSA：51.60000
LogP:2.73190
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:222.07145086
Heavy Atom Count:15
Complexity:212

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC(C(=O)OC1)CSC2=CC=CC=C2

Technology Process of 3-[(Phenylsulfanyl)methyl]oxan-2-one

There total 3 articles about 3-[(Phenylsulfanyl)methyl]oxan-2-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: 94.0%

: 71309-70-1
((3,4-dihydro-2H-pyran-6-yl)oxy)trimethylsilane

: 7205-91-6
phenylthiomethyl chloride

: 71309-71-2
2-phenylthiomethyl-δ-valerolactone

Guidance literature:: With zinc dibromide; In dichloromethane; at 20 ℃; for 16h;
DOI:10.1016/S0040-4020(01)86667-9

Reference yield:

: 542-28-9,26354-94-9
3,4,5,6-tetrahydro-2H-pyran-2-one

: 71309-71-2
2-phenylthiomethyl-δ-valerolactone

Guidance literature:: Multi-step reaction with 2 steps

1: 95 percent / LDA / tetrahydrofuran / 0.5 h / -78 °C

2: 94 percent / ZnBr₂ / CH₂Cl₂ / 16 h / 20 °C

With zinc dibromide; lithium diisopropyl amide; In tetrahydrofuran; dichloromethane;
DOI:10.1016/S0040-4020(01)86667-9