(7S)-7-Methyl-5-(4-nitrophenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-G]isochromene

Base Information

Chemical Name:(7S)-7-Methyl-5-(4-nitrophenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-G]isochromene
CAS No.:196303-01-2
Molecular Formula:C17H15NO5
Molecular Weight:313.31
Hs Code.:
DSSTox Substance ID:DTXSID70450230
Mol file:196303-01-2.mol

Synonyms:196303-01-2;(7S)-7-METHYL-5-(4-NITROPHENYL)-7,8-DIHYDRO-5H-[1,3]DIOXOLO[4,5-G]ISOCHROMENE;(5RS,7S)-7,8-dihydro-7-methyl-5-(4-nitrophenyl)-5H-1,3-dioxolo-[4,5-G][2]benzopyran;SCHEMBL6208142;DTXSID70450230;(5RS,7S)-7,8-dihydro-7-methyl-5-(4-nitrophenyl)-5H-1.3-dioxolo-[4,5-G][2] benzopyran

Suppliers and Price of (7S)-7-Methyl-5-(4-nitrophenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-G]isochromene

Supply Marketing:

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

Manufacturers and distributors:

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Total 1 raw suppliers

Chemical Property of (7S)-7-Methyl-5-(4-nitrophenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-G]isochromene

Chemical Property:

PSA：73.51000
LogP:3.89730
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:313.09502258
Heavy Atom Count:23
Complexity:445

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CC2=CC3=C(C=C2C(O1)C4=CC=C(C=C4)[N+](=O)[O-])OCO3
Isomeric SMILES:C[C@H]1CC2=CC3=C(C=C2C(O1)C4=CC=C(C=C4)[N+](=O)[O-])OCO3

Technology Process of (7S)-7-Methyl-5-(4-nitrophenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-G]isochromene

There total 4 articles about (7S)-7-Methyl-5-(4-nitrophenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-G]isochromene 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: 90.0%

: 555-16-8
4-nitrobenzaldehdye

: 172542-26-6
(S)-α-methyl-1,3-benzodioxole-5-ethanol

: 196303-01-2,379733-75-2
isochroman

Guidance literature:: With hydrogenchloride; In toluene;
DOI:10.1021/ja00154a048

Reference yield:

: 4676-39-5
1-(1,3-benzodioxol-5-yl)-2-propanone

: 196303-01-2,379733-75-2
isochroman

Guidance literature:: Multi-step reaction with 2 steps

1: 96 percent / Zygosaccharomyces rouxii, XAD-7 resin

2: 90 percent / HCl / toluene

With hydrogenchloride; In toluene;
DOI:10.1021/ja00154a048

Reference yield:

: 94-59-7
1-allyl-3,4-methylenedioxybenzene

: 196303-01-2,379733-75-2
isochroman

Guidance literature:: Multi-step reaction with 3 steps

1: palladium dichloride; p-benzoquinone / methanol; water / Green chemistry

2: Daucus carota bits / water / Green chemistry

3: toluene-4-sulfonic acid / neat (no solvent) / 110 °C / Microwave irradiation; Green chemistry

With toluene-4-sulfonic acid; p-benzoquinone; palladium dichloride; In methanol; water; 3: |Pictet-Spengler Synthesis;
DOI:10.1039/c5ra19483k