2-Pyrrolidinone, 1-(4-hydroxy-5-hexenyl)-5-(phenylthio)-

Base Information

Chemical Name:2-Pyrrolidinone, 1-(4-hydroxy-5-hexenyl)-5-(phenylthio)-
CAS No.:849208-81-7
Molecular Formula:C16H21NO2S
Molecular Weight:291.414
Hs Code.:
DSSTox Substance ID:DTXSID50478295

Synonyms:849208-81-7;2-Pyrrolidinone, 1-(4-hydroxy-5-hexenyl)-5-(phenylthio)-;DTXSID50478295

Suppliers and Price of 2-Pyrrolidinone, 1-(4-hydroxy-5-hexenyl)-5-(phenylthio)-

Supply Marketing:

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

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Chemical Property of 2-Pyrrolidinone, 1-(4-hydroxy-5-hexenyl)-5-(phenylthio)-

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:291.12930009
Heavy Atom Count:20
Complexity:328

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C=CC(CCCN1C(CCC1=O)SC2=CC=CC=C2)O

Technology Process of 2-Pyrrolidinone, 1-(4-hydroxy-5-hexenyl)-5-(phenylthio)-

There total 5 articles about 2-Pyrrolidinone, 1-(4-hydroxy-5-hexenyl)-5-(phenylthio)- 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: 91.0%

: 108-98-5
thiophenol

: 849208-80-6
5-hydroxy-N-{4-[(tert-butyldimethylsilyl)oxy]-hex-5-enyl}-pyrrolidin-2-one

: 849208-81-7
N-[(4-hydroxy-hex-5-enyl)]-5-phenylsulfanyl-pyrrolidin-2-one

Guidance literature:: With 8-aminopyrene-1,3,6-trisulfonic acid, trisodium salt;
DOI:10.1055/s-2004-837197

Reference yield:

: 41324-11-2
1,4-dihydroxy-hex-5-ene

: 849208-81-7
N-[(4-hydroxy-hex-5-enyl)]-5-phenylsulfanyl-pyrrolidin-2-one

Guidance literature:: Multi-step reaction with 5 steps

1: 93 percent / imidazole / CH₂Cl₂ / 20 °C

2: 58 percent / NH₄F / methanol / 3 h / 65 °C

3: 91 percent / triphenylphosphine; DIAD / tetrahydrofuran / 20 °C

4: 96 percent / LiBEt₃H / tetrahydrofuran / 2 h / -78 °C

5: 87 percent / p-TSA / 30 h / 20 °C

With 1H-imidazole; ammonium fluoride; di-isopropyl azodicarboxylate; lithium triethylborohydride; toluene-4-sulfonic acid; triphenylphosphine; In tetrahydrofuran; methanol; dichloromethane; 3: Mitsunobu reaction;
DOI:10.1021/jo061628g

Reference yield:

: 849208-92-0
1,4-di-[(tert-butyldimethylsilyl)oxy]-hex-5-ene

: 849208-81-7
N-[(4-hydroxy-hex-5-enyl)]-5-phenylsulfanyl-pyrrolidin-2-one

Guidance literature:: Multi-step reaction with 4 steps

1: 58 percent / NH₄F / methanol / 3 h / 65 °C

2: 91 percent / triphenylphosphine; DIAD / tetrahydrofuran / 20 °C

3: 96 percent / LiBEt₃H / tetrahydrofuran / 2 h / -78 °C

4: 87 percent / p-TSA / 30 h / 20 °C

With ammonium fluoride; di-isopropyl azodicarboxylate; lithium triethylborohydride; toluene-4-sulfonic acid; triphenylphosphine; In tetrahydrofuran; methanol; 2: Mitsunobu reaction;
DOI:10.1021/jo061628g