2-{2-[(Benzenesulfonyl)methyl]-5-nitrophenyl}-1,3-dioxolane

Base Information

Chemical Name:2-{2-[(Benzenesulfonyl)methyl]-5-nitrophenyl}-1,3-dioxolane
CAS No.:89303-40-2
Molecular Formula:C16H15NO6S
Molecular Weight:349.35800
Hs Code.:
DSSTox Substance ID:DTXSID30532405
Wikidata:Q82404975

Synonyms:89303-40-2;SCHEMBL4169233;DTXSID30532405;LXFWRZZEYKVCIX-UHFFFAOYSA-N;2-{2-[(Benzenesulfonyl)methyl]-5-nitrophenyl}-1,3-dioxolane;2-(2-Phenylsulfonylmethyl-5-nitrophenyl)-1,3-dioxolane

Suppliers and Price of 2-{2-[(Benzenesulfonyl)methyl]-5-nitrophenyl}-1,3-dioxolane

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
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Total 0 raw suppliers

Chemical Property of 2-{2-[(Benzenesulfonyl)methyl]-5-nitrophenyl}-1,3-dioxolane

Chemical Property:

Melting Point:122-130 °C(Solv: benzene (71-43-2))
Boiling Point:577.3±50.0 °C(Predicted)
PSA：106.80000
Density:1.401±0.06 g/cm3(Predicted)
LogP:4.21810
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:349.06200837
Heavy Atom Count:24
Complexity:528

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1COC(O1)C2=C(C=CC(=C2)[N+](=O)[O-])CS(=O)(=O)C3=CC=CC=C3

Technology Process of 2-{2-[(Benzenesulfonyl)methyl]-5-nitrophenyl}-1,3-dioxolane

There total 2 articles about 2-{2-[(Benzenesulfonyl)methyl]-5-nitrophenyl}-1,3-dioxolane 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: 35.0%

: 6952-67-6
2-(3-nitrophenyl)-1,3-dioxolane

: 7205-98-3
chloromethyl phenyl sulfone

: 89303-50-4
2-(4-phenylsulfonylmethyl-5-nitrophenyl)-1,3-dioxolane

: 89303-40-2
2-(2-phenylsulfonylmethyl-5-nitrophenyl)-1,3-dioxolane

Guidance literature:: With potassium hydroxide; dimethyl sulfoxide; at 23 ℃;
DOI:10.1021/ja0449168

Reference yield:

: 99-61-6
3-nitro-benzaldehyde

: 89303-40-2
2-(2-phenylsulfonylmethyl-5-nitrophenyl)-1,3-dioxolane

Guidance literature:: Multi-step reaction with 2 steps

1: 98 percent / p-TsOH / toluene / Heating

2: 35 percent / KOH; DMSO / 23 °C

With potassium hydroxide; toluene-4-sulfonic acid; dimethyl sulfoxide; In toluene;
DOI:10.1021/ja0449168