6-Heptyn-3-one, 5-ethoxy-2,2-dimethyl-7-(phenylthio)-

Base Information

Chemical Name:6-Heptyn-3-one, 5-ethoxy-2,2-dimethyl-7-(phenylthio)-
CAS No.:183435-06-5
Molecular Formula:C17H22O2S
Molecular Weight:290.426
Hs Code.:
DSSTox Substance ID:DTXSID30443527
Mol file:183435-06-5.mol

Synonyms:6-Heptyn-3-one, 5-ethoxy-2,2-dimethyl-7-(phenylthio)-;183435-06-5;DTXSID30443527

Suppliers and Price of 6-Heptyn-3-one, 5-ethoxy-2,2-dimethyl-7-(phenylthio)-

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
Packaging
price

Total 1 raw suppliers

Chemical Property of 6-Heptyn-3-one, 5-ethoxy-2,2-dimethyl-7-(phenylthio)-

Chemical Property:

XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:290.13405111
Heavy Atom Count:20
Complexity:363

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(CC(=O)C(C)(C)C)C#CSC1=CC=CC=C1

Technology Process of 6-Heptyn-3-one, 5-ethoxy-2,2-dimethyl-7-(phenylthio)-

There total 1 articles about 6-Heptyn-3-one, 5-ethoxy-2,2-dimethyl-7-(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:

: 17510-46-2
3,3-dimethyl-2-(trimethylsilyl)oxy-1-butene

: 163189-53-5
γ-phenylthiopropynal diethyl acetal

: 183435-06-5
5-Ethoxy-2,2-dimethyl-7-phenylsulfanyl-hept-6-yn-3-one

Guidance literature:: With boron trifluoride diethyl etherate; In dichloromethane;
DOI:10.1021/jo961071c

Reference yield: 100.0%

: 183435-06-5
5-Ethoxy-2,2-dimethyl-7-phenylsulfanyl-hept-6-yn-3-one

: (3R,5S)-5-Ethoxy-2,2-dimethyl-7-phenylsulfanyl-hept-6-yn-3-ol

Guidance literature:: With lithium borohydride; In diethyl ether; at -80 ℃; for 0.166667h;
DOI:10.1021/jo961071c

Reference yield:

: 183435-06-5
5-Ethoxy-2,2-dimethyl-7-phenylsulfanyl-hept-6-yn-3-one

: (3R,5S)-5-tert-Butyl-3-ethoxy-2-[1-phenylsulfanyl-meth-(Z)-ylidene]-tetrahydro-furan

Guidance literature:: Multi-step reaction with 2 steps

1: 100 percent / LiBH₄ / diethyl ether / 0.17 h / -80 °C

2: 74 percent / t-BuOK / 2-methyl-propan-2-ol / 1 h / Ambient temperature

With lithium borohydride; potassium tert-butylate; In diethyl ether; tert-butyl alcohol;
DOI:10.1021/jo961071c