1,3-Propanedione, 1-(2-hydroxyphenyl)-3-(3-nitrophenyl)-

Base Information

Chemical Name:1,3-Propanedione, 1-(2-hydroxyphenyl)-3-(3-nitrophenyl)-
CAS No.:109899-85-6
Molecular Formula:C15H11NO5
Molecular Weight:285.256
Hs Code.:
DSSTox Substance ID:DTXSID40402347
Wikidata:Q82205743
Mol file:109899-85-6.mol

Synonyms:1,3-Propanedione, 1-(2-hydroxyphenyl)-3-(3-nitrophenyl)-;109899-85-6;Oprea1_765184;DTXSID40402347

Suppliers and Price of 1,3-Propanedione, 1-(2-hydroxyphenyl)-3-(3-nitrophenyl)-

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 1 raw suppliers

Chemical Property of 1,3-Propanedione, 1-(2-hydroxyphenyl)-3-(3-nitrophenyl)-

Chemical Property:

XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:285.06372245
Heavy Atom Count:21
Complexity:417

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)C(=O)CC(=O)C2=CC(=CC=C2)[N+](=O)[O-])O

Technology Process of 1,3-Propanedione, 1-(2-hydroxyphenyl)-3-(3-nitrophenyl)-

There total 7 articles about 1,3-Propanedione, 1-(2-hydroxyphenyl)-3-(3-nitrophenyl)- 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:

: 109899-88-9
2'-(3-nitrobenzoyloxy)acetophenone

: 109899-85-6
1-(2-hydroxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione

Guidance literature:: potassium tert-butylate; In dimethyl sulfoxide; at 30 ℃; Rate constant; buffer cont. 0.02M 2,4,6-trimethylphenol; substituent effects; acidity function correlations;

Reference yield:

: 118-93-4,104809-67-8
o-hydroxyacetophenone

: 109899-85-6
1-(2-hydroxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione

Guidance literature:: Multi-step reaction with 2 steps

1: 64 percent / POCl₂ / pyridine / 3 h / 60 - 70 °C

2: NaH / tetrahydrofuran / 3 h / Heating

With sodium hydride; In tetrahydrofuran; pyridine; 2: Baker-Venkataraman rearrangement;
DOI:10.1007/s00706-006-0550-9

Reference yield:

: 118-93-4,104809-67-8
o-hydroxyacetophenone

: 121-90-4
m-nitrobenzoic acid chloride

: 109899-85-6
1-(2-hydroxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione

Guidance literature:: With lithium hexamethyldisilazane; Multistep reaction; 1.) THF, 078 deg C, 2 h, 2.) THF, a) -78 deg C, 1 h, b) RT, 20 h;
DOI:10.1021/jm00046a020