Dibenzyl malonate - CAS 15014-25-2
Catalog: |
BB010492 |
Product Name: |
Dibenzyl malonate |
CAS: |
15014-25-2 |
Synonyms: |
dibenzyl propanedioate |
IUPAC Name: | dibenzyl propanedioate |
Description: | Dibenzyl malonate (CAS# 15014-25-2) is a synthetic intermediate. It is used in the synthesis of matrix metalloproteinase inhibitor. It can also be used to prepare 2-pyridones with bactericidal activities. |
Molecular Weight: | 284.31 |
Molecular Formula: | C17H16O4 |
Canonical SMILES: | C1=CC=C(C=C1)COC(=O)CC(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C17H16O4/c18-16(20-12-14-7-3-1-4-8-14)11-17(19)21-13-15-9-5-2-6-10-15/h1-10H,11-13H2 |
InChI Key: | RYFCSKVXWRJEOB-UHFFFAOYSA-N |
Boiling Point: | 188 °C (0.2 torr) |
Purity: | 95 % |
Density: | 1.137 g/mL at 25 °C (lit.) |
Appearance: | Clear yellowish liquid |
Storage: | Refrigerator |
MDL: | MFCD00004779 |
LogP: | 2.86330 |
Publication Number | Title | Priority Date |
JP-2021102575-A | Methods for Producing 2-Hydroxy-2- (Perfluoroalkyl) Malonic Acid Ester Derivatives, as well as 2- (trimethylsilyloxy) -2- (Perfluoroalkyl) Malonic Acid Ester Derivatives and 5-Hydroxy-5- (Perfluoroalkyl) Pyrimidine-2,4,6 (1H, 3H, 5H) -triones and methods for producing them | 20191225 |
WO-2021097110-A1 | Therapeutic compounds and methods of use | 20191113 |
WO-2021084802-A1 | Aqueous coating composition | 20191101 |
WO-2021084804-A1 | Water-based coating composition | 20191101 |
WO-2021084805-A1 | Aqueous coating composition | 20191101 |
PMID | Publication Date | Title | Journal |
20226679 | 20100401 | Inhibition of Escherichia coli glycosyltransferase MurG and Mycobacterium tuberculosis Gal transferase by uridine-linked transition state mimics | Bioorganic & medicinal chemistry |
12868880 | 20030724 | Polymer-supported bisBINOL ligands for the immobilization of multicomponent asymmetric catalysts | Organic letters |
12608819 | 20030307 | Catalysis of the Michael addition reaction by late transition metal complexes of BINOL-derived salens | The Journal of organic chemistry |
12460466 | 20021101 | Liposome formulations for effective administration of lipophilic malonatoplatinum(II) complexes | Japanese journal of cancer research : Gann |
11405675 | 20010531 | BINOL-salen metal catalysts incorporating a bifunctional design | Organic letters |
Complexity: | 296 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 284.10485899 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.10485899 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 52.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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