1,3-Dioxepane, 2-phenyl-

Base Information

Chemical Name:1,3-Dioxepane, 2-phenyl-
CAS No.:2749-68-0
Molecular Formula:C11H14O2
Molecular Weight:178.231
Hs Code.:
DSSTox Substance ID:DTXSID80450024
Nikkaji Number:J1.801.813F
Wikidata:Q82269593

Synonyms:1,3-Dioxepane, 2-phenyl-;2-phenyl-1,3-dioxepane;2749-68-0;SCHEMBL2045490;DTXSID80450024

Suppliers and Price of 1,3-Dioxepane, 2-phenyl-

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 5 raw suppliers

Chemical Property of 1,3-Dioxepane, 2-phenyl-

Chemical Property:

XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:178.099379685
Heavy Atom Count:13
Complexity:133

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CCOC(OC1)C2=CC=CC=C2

Technology Process of 1,3-Dioxepane, 2-phenyl-

There total 6 articles about 1,3-Dioxepane, 2-phenyl- 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: 95.0%

: 110-63-4
Butane-1,4-diol

: 100-52-7
benzaldehyde

: 2749-68-0
2-phenyl-[1,3]dioxepane

Guidance literature:: With phosphorus modified SO₄^(2-)/TiO₂; In cyclohexane; for 2h; Dean-Stark; Reflux;
DOI:10.4067/s0717-97072015000300006

Reference yield: 67.0%

: 2568-24-3
2-phenyl-4,7-dihydro-1,3-dioxepine

: 35174-10-8
2-phenyl-4,5-dihydro-[1,3]dioxepine

: 2749-68-0
2-phenyl-[1,3]dioxepane

Guidance literature:: With sodium tetrahydroborate; tris(triphenylphosphine)ruthenium(II) chloride; In methanol; at 70 ℃; for 3h; Inert atmosphere;
DOI:10.1021/acs.joc.0c00390

Reference yield:

: 56318-28-6
(bis(allyloxy)methyl)benzene

: 35174-10-8
2-phenyl-4,5-dihydro-[1,3]dioxepine

: 2749-68-0
2-phenyl-[1,3]dioxepane

Guidance literature:: Multi-step reaction with 2 steps

1: tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride / dichloromethane / 2 h / Inert atmosphere; Reflux

2: tris(triphenylphosphine)ruthenium(II) chloride; sodium tetrahydroborate / methanol / 3 h / 70 °C / Inert atmosphere

With tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride; sodium tetrahydroborate; tris(triphenylphosphine)ruthenium(II) chloride; In methanol; dichloromethane;
DOI:10.1021/acs.joc.0c00390