beta-Hydroxyethyl-3,5-dinitrobenzoate

Base Information

Chemical Name:beta-Hydroxyethyl-3,5-dinitrobenzoate
CAS No.:57027-69-7
Molecular Formula:C9H8N2O7
Molecular Weight:256.172
Hs Code.:
DSSTox Substance ID:DTXSID001278737
Nikkaji Number:J3.369.385K

Synonyms:SCHEMBL9733791;DTXSID001278737;beta-hydroxyethyl-3,5-dinitrobenzoate;57027-69-7;1,2-Ethanediol, 1-(3,5-dinitrobenzoate)

Suppliers and Price of beta-Hydroxyethyl-3,5-dinitrobenzoate

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 0 raw suppliers

Chemical Property of beta-Hydroxyethyl-3,5-dinitrobenzoate

Chemical Property:

Boiling Point:451.6±35.0 °C(Predicted)
PSA：138.17000
Density:1.552±0.06 g/cm3(Predicted)
LogP:1.69850
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:256.03315060
Heavy Atom Count:18
Complexity:313

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)OCCO

Technology Process of beta-Hydroxyethyl-3,5-dinitrobenzoate

There total 2 articles about beta-Hydroxyethyl-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: 80.6%

: 107-21-1
ethylene glycol

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

: 57027-69-7
3,5-Dinitro-benzoesaeure-<2-hydroxy-ethylester>

Guidance literature:: With triethylamine; In tetrahydrofuran; at 20 ℃; for 20h;

Reference yield:

: 96-49-1
[1,3]-dioxolan-2-one

: 99-34-3
3,5-dinitrobenzoic acid

: 57027-69-7
3,5-Dinitro-benzoesaeure-<2-hydroxy-ethylester>

Guidance literature:: With tetraethylammonium iodide; at 140 - 145 ℃;

Reference yield: 81.0%

: 57027-69-7
3,5-Dinitro-benzoesaeure-<2-hydroxy-ethylester>

: 5-(tert-butyldimethylsilyloxy)methyl-N₁-tosyluracil

: 5-(tert-butyldimethylsilyloxy)methyl-N₃-[2-(3,5-dinitrobenzoyloxy)ethyl]-N₁-tosyluracil

Guidance literature:: With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; toluene; at 20 ℃; for 48h; Inert atmosphere;
DOI:10.1016/j.tetlet.2021.153554