3,5-Diacetoxyacetophenone
Product Information
Molecular Formula
C12H12O5
Molecular Weight
236.22
Description
3,5-Diacetoxyacetophenone is a biomedical small molecule. Taking advantage of its pharmacological properties, this particular compound exhibits potent anti-tumor efficacy against specific cancer variants. Additionally, it has anti-inflammatory and analgesic properties.
Synonyms
5-Acetyl-1,3-phenylene diacetate; 3,5-Diacetoxyacetophenone; (3-acetyl-5-acetyloxyphenyl) acetate; 3',5'-Diacetyloxyacetophenone; Ethanone, 1-[3,5-bis(acetyloxy)phenyl]-; 3-acetyl-5-(acetyloxy)phenyl acetate; 3,5-Diacetoxy Acetophenone; 1-(3,5-BIS(ACETYLOXY)PHENYL)-; 5-Acetyl-1,3-phenylenediacetate; (3-acetoxy-5-acetyl-phenyl) acetate
IUPAC Name
(3-acetyl-5-acetyloxyphenyl) acetate
SMILES
CC(=O)C1=CC(=CC(=C1)OC(=O)C)OC(=O)C
InChI
InChI=1S/C12H12O5/c1-7(13)10-4-11(16-8(2)14)6-12(5-10)17-9(3)15/h4-6H,1-3H3
InChI Key
QODJHYBESCIPOG-UHFFFAOYSA-N
Boiling Point
165-168 °C (0.7501 mmHg)
Melting Point
91-94 °C(lit.)
Purity
>98.0%(GC)
Density
1.3026 (rough estimate)
Appearance
Light yellow to Brown powder to crystal
Refractive Index
1.5140 (estimate)
Computed Properties
XLogP3
1.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
5
Exact Mass
236.06847348 g/mol
Monoisotopic Mass
236.06847348 g/mol
Topological Polar Surface Area
69.7Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
299
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-111499528-A | Terbutaline sulfate intermediate, preparation method thereof and method for preparing terbutaline sulfate by using terbutaline sulfate intermediate | 2020-04-28 |
| JP-2017155211-A | Discoloring or discoloring ink composition | 2016-02-26 |
| CN-105254512-B | Preparation method of terbutaline sulphate | 2015-11-10 |
| JP-2017082142-A | Pressure-sensitive decoloring and discoloring ink composition | 2015-10-30 |
| JP-2017012998-A | Microcapsule and manufacturing method thereof | 2015-06-30 |
| JP-2016160327-A | Discoloring or discoloring ink composition | 2015-02-27 |
| JP-2015091941-A | Decolorizing and discoloring ink composition | 2013-09-30 |
| JP-2015143319-A | Decolorizing and discoloring ink composition for writing and drawing | 2013-06-28 |
| CA-2831795-A1 | Solid red ink formulations | 2012-11-02 |
| CA-2831795-C | Solid red ink formulations | 2012-11-02 |
