Cyclobuta[1,2:3,4]dicyclopenten-1(2H)-one, octahydro-3a-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-, (3aalpha,3balpha,6aalpha,6balpha)-

Base Information

Chemical Name:Cyclobuta[1,2:3,4]dicyclopenten-1(2H)-one, octahydro-3a-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-, (3aalpha,3balpha,6aalpha,6balpha)-
CAS No.:119245-18-0
Molecular Formula:C₁₈H₂₂O₄S
Molecular Weight:334.436
Hs Code.:
DSSTox Substance ID:DTXSID801106322

Synonyms:DTXSID801106322;119245-18-0;Cyclobuta[1,2:3,4]dicyclopenten-1(2H)-one, octahydro-3a-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-, (3aalpha,3balpha,6aalpha,6balpha)-

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Chemical Property of Cyclobuta[1,2:3,4]dicyclopenten-1(2H)-one, octahydro-3a-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-, (3aalpha,3balpha,6aalpha,6balpha)-

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:334.12388035
Heavy Atom Count:23
Complexity:585

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)OCC23CCC(=O)C2C4C3CCC4

Technology Process of Cyclobuta[1,2:3,4]dicyclopenten-1(2H)-one, octahydro-3a-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-, (3aalpha,3balpha,6aalpha,6balpha)-

There total 4 articles about Cyclobuta[1,2:3,4]dicyclopenten-1(2H)-one, octahydro-3a-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-, (3aalpha,3balpha,6aalpha,6balpha)- 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: 58.0%

: 119245-17-9,131321-90-9
3a-Hydroxymethyl-octahydro-cyclobutadicyclopenten-1-one

: 98-59-9
p-toluenesulfonyl chloride

: 119245-18-0,119324-02-6
6-<<(p-tolylsulfonyl)oxy>methyl>tricyclo<5.3.0.0^2,6>-3-decanone

Guidance literature:: With pyridine; at 0 - 20 ℃; for 18h;
DOI:10.1021/jo00269a012

Reference yield:

: 159572-82-4
methyl 8-oxotricyclo<5.3.0.0^2,6>decane-1-carboxylate

: 119245-18-0,119324-02-6
6-<<(p-tolylsulfonyl)oxy>methyl>tricyclo<5.3.0.0^2,6>-3-decanone

Guidance literature:: Multi-step reaction with 4 steps

1: 90 percent / p-toluenesulfonic acid / toluene / 4.5 h / Heating

2: LiAlH₄ / diethyl ether / 2 h / Heating

3: 1 M aq. H₂SO₄ / diethyl ether / 2 h / Ambient temperature

4: 58 percent / pyridine / 18 h / 0 - 20 °C

With pyridine; lithium aluminium tetrahydride; sulfuric acid; toluene-4-sulfonic acid; In diethyl ether; toluene;
DOI:10.1021/jo00269a012

Reference yield:

: 119245-15-7,119324-05-9,133162-52-4
C₁₄H₂₀O₄

: 119245-18-0,119324-02-6
6-<<(p-tolylsulfonyl)oxy>methyl>tricyclo<5.3.0.0^2,6>-3-decanone

Guidance literature:: Multi-step reaction with 3 steps

1: LiAlH₄ / diethyl ether / 2 h / Heating

2: 1 M aq. H₂SO₄ / diethyl ether / 2 h / Ambient temperature

3: 58 percent / pyridine / 18 h / 0 - 20 °C

With pyridine; lithium aluminium tetrahydride; sulfuric acid; In diethyl ether;
DOI:10.1021/jo00269a012