2-Ethyl-2-[3-oxo-5-(phenylsulfanyl)pentyl]cyclopentane-1,3-dione

Base Information

Chemical Name:2-Ethyl-2-[3-oxo-5-(phenylsulfanyl)pentyl]cyclopentane-1,3-dione
CAS No.:101750-88-3
Molecular Formula:C18H22O3S
Molecular Weight:318.437
Hs Code.:
DSSTox Substance ID:DTXSID40559966
Mol file:101750-88-3.mol

Synonyms:101750-88-3;DTXSID40559966;2-Ethyl-2-[3-oxo-5-(phenylsulfanyl)pentyl]cyclopentane-1,3-dione

Suppliers and Price of 2-Ethyl-2-[3-oxo-5-(phenylsulfanyl)pentyl]cyclopentane-1,3-dione

Supply Marketing:

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

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Chemical Property of 2-Ethyl-2-[3-oxo-5-(phenylsulfanyl)pentyl]cyclopentane-1,3-dione

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:318.12896573
Heavy Atom Count:22
Complexity:408

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1(C(=O)CCC1=O)CCC(=O)CCSC2=CC=CC=C2

Technology Process of 2-Ethyl-2-[3-oxo-5-(phenylsulfanyl)pentyl]cyclopentane-1,3-dione

There total 5 articles about 2-Ethyl-2-[3-oxo-5-(phenylsulfanyl)pentyl]cyclopentane-1,3-dione 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: 75.0%

: 823-36-9
2-ethylcyclopentane-1,3-dione

: 101750-87-2
3-oxo-5-phenylthio-amyl mesylate

: 101750-88-3
2-ethyl-2-(3'-oxo-5'-phenylthio-amyl)-cyclopentane-1,3-dione

Guidance literature:: With triethylamine; hydroquinone; In tetrahydrofuran; for 14h; Heating;
DOI:10.1016/S0040-4020(01)82341-3

Reference yield:

: 73401-98-6
2-(2-Phenylsulfanyl-ethyl)-[1,3]dithiane

: 101750-88-3
2-ethyl-2-(3'-oxo-5'-phenylthio-amyl)-cyclopentane-1,3-dione

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) n-butyllithium / 1.) tetrahydrofuran/hexane, -78 deg C, then to -35 deg C, 1.5 h, 2.) -70 deg C, then 10 deg C, 2 d

2: 65 percent / mercury(II) chloride, calcium carbonate / acetonitrile; H₂O / 9 h / Heating

3: 85 percent / pyridine / CH₂Cl₂ / 2 h / 20 °C

4: 75 percent / triethylamine, hydroquinone / tetrahydrofuran / 14 h / Heating

With pyridine; n-butyllithium; triethylamine; hydroquinone; calcium carbonate; mercury dichloride; In tetrahydrofuran; dichloromethane; water; acetonitrile;
DOI:10.1016/S0040-4020(01)82341-3

Reference yield:

: 101750-86-1
phenyl 3-oxo-5-hydroxy-amyl sulfide

: 101750-88-3
2-ethyl-2-(3'-oxo-5'-phenylthio-amyl)-cyclopentane-1,3-dione

Guidance literature:: Multi-step reaction with 2 steps

1: 85 percent / pyridine / CH₂Cl₂ / 2 h / 20 °C

2: 75 percent / triethylamine, hydroquinone / tetrahydrofuran / 14 h / Heating

With pyridine; triethylamine; hydroquinone; In tetrahydrofuran; dichloromethane;
DOI:10.1016/S0040-4020(01)82341-3