Diethyl phenylmalonate - CAS 83-13-6
Catalog: |
BB036974 |
Product Name: |
Diethyl phenylmalonate |
CAS: |
83-13-6 |
Synonyms: |
diethyl 2-phenylpropanedioate |
IUPAC Name: | diethyl 2-phenylpropanedioate |
Description: | Diethyl phenylmalonate (CAS# 83-13-6) is a useful research chemical compound. |
Molecular Weight: | 236.26 |
Molecular Formula: | C13H16O4 |
Canonical SMILES: | CCOC(=O)C(C1=CC=CC=C1)C(=O)OCC |
InChI: | InChI=1S/C13H16O4/c1-3-16-12(14)11(13(15)17-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3 |
InChI Key: | FGYDHYCFHBSNPE-UHFFFAOYSA-N |
Boiling Point: | 170-172 °C (14 mmHg) |
Melting Point: | 16-17 °C |
Purity: | 98 % |
Density: | 1.095 g/cm3 |
Appearance: | Clear colourless to yellowish liquid after melting |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00009144 |
LogP: | 1.89640 |
Publication Number | Title | Priority Date |
CN-112250580-A | Preparation method of 2-nitro-2-substituted phenyl propane-1, 3-diol | 20201028 |
WO-2021211408-A1 | Substituted {1,2,4,} triazolo{1,5-a} pyrimidine compounds and use in stabilizing microtubules | 20200414 |
CN-111440192-A | Method for preparing pinoxaden intermediate through micro-channel | 20200306 |
RU-2738107-C1 | Method of producing 5-substituted-6-hydroxy-2,3-diphenylpyrimidin-4(3h)-ones | 20200306 |
CN-211988607-U | Uniform heating device for phenyl ethyl diethyl malonate reactor | 20200221 |
PMID | Publication Date | Title | Journal |
22989032 | 20121015 | Insights into the novel hydrolytic mechanism of a diethyl 2-phenyl-2-(2-arylacetoxy)methyl malonate ester-based microsomal triglyceride transfer protein (MTP) inhibitor | Chemical research in toxicology |
22315670 | 20120101 | Optimal Conditions for Continuous Immobilization of Pseudozyma hubeiensis (Strain HB85A) Lipase by Adsorption in a Packed-Bed Reactor by Response Surface Methodology | Enzyme research |
21999212 | 20111118 | Selective synthesis of substituted pyrrole-2-phosphine oxides and -phosphonates from 2H-azirines and enolates from acetyl acetates and malonates | The Journal of organic chemistry |
21052496 | 20101028 | Immobilization and Characterization of a Recombinant Thermostable Lipase (Pf2001) from Pyrococcus furiosus on Supports with Different Degrees of Hydrophobicity | Enzyme research |
19037600 | 20090501 | Separation and immobilization of lipase from Penicillium simplicissimum by selective adsorption on hydrophobic supports | Applied biochemistry and biotechnology |
Complexity: | 238 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.10485899 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.10485899 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 52.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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