(3R)-2,2-Dimethyl-5-oxooxolan-3-yl 3,5-dinitrobenzoate

Base Information

Chemical Name:(3R)-2,2-Dimethyl-5-oxooxolan-3-yl 3,5-dinitrobenzoate
CAS No.:21860-28-6
Molecular Formula:C13H12N2O8
Molecular Weight:324.247
Hs Code.:
DSSTox Substance ID:DTXSID60579727
Mol file:21860-28-6.mol

Synonyms:21860-28-6;(3R)-2,2-Dimethyl-5-oxooxolan-3-yl 3,5-dinitrobenzoate;DTXSID60579727

Suppliers and Price of (3R)-2,2-Dimethyl-5-oxooxolan-3-yl 3,5-dinitrobenzoate

Supply Marketing:

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

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of (3R)-2,2-Dimethyl-5-oxooxolan-3-yl 3,5-dinitrobenzoate

Chemical Property:

XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:324.05936535
Heavy Atom Count:23
Complexity:513

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C(CC(=O)O1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C
Isomeric SMILES:CC1([C@@H](CC(=O)O1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C

Technology Process of (3R)-2,2-Dimethyl-5-oxooxolan-3-yl 3,5-dinitrobenzoate

There total 2 articles about (3R)-2,2-Dimethyl-5-oxooxolan-3-yl 3,5-dinitrobenzoate 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: 66.1%

: 23517-93-3
(+)-(R)-dihydro-4-hydroxy-5,5-dimethylfuran-2(3H)-one

: 99-33-2
3,5-dinitrobenoyl chloride

: 21860-28-6
3,5-Dinitro-benzoic acid (R)-2,2-dimethyl-5-oxo-tetrahydro-furan-3-yl ester

Guidance literature:: With pyridine; In benzene; at 70 ℃; for 0.0333333h;
DOI:10.1039/P19920001681

Reference yield:

: 2258-65-3
4-methyl-pent-3-enoic acid methyl ester

: 21860-28-6
3,5-Dinitro-benzoic acid (R)-2,2-dimethyl-5-oxo-tetrahydro-furan-3-yl ester

Guidance literature:: Multi-step reaction with 2 steps

1: AD-mix-β; methanesulfonamide / 2-methyl-propan-2-ol; H2O / 24 h / 0 °C

2: pyridine

With pyridine; methanesulfonamide; AD-mix-β; In water; tert-butyl alcohol; 1: Cyclization / 2: Acylation;
DOI:10.1039/b005285j