Dimethyl malonate - CAS 108-59-8
Catalog: |
BB002290 |
Product Name: |
Dimethyl malonate |
CAS: |
108-59-8 |
Synonyms: |
dimethyl propanedioate |
IUPAC Name: | dimethyl propanedioate |
Description: | Dimethyl malonate (CAS# 108-59-8) is a diester derivative of Malonic Acid (M158005). It is also a precursor in the synthesis of Barbituric Acids. |
Molecular Weight: | 132.11 |
Molecular Formula: | C5H8O4 |
Canonical SMILES: | COC(=O)CC(=O)OC |
InChI: | InChI=1S/C5H8O4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H3 |
InChI Key: | BEPAFCGSDWSTEL-UHFFFAOYSA-N |
Boiling Point: | 180-181 °C |
Melting Point: | -62°C |
Flash Point: | 90°C |
Density: | 1.156 g/cm3 |
Solubility: | water, 9.951e+004 mg/L @ 25 °C (est) |
Appearance: | Colorless clear oily liquid (est) |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00008460 |
LogP: | -0.27750 |
Refractive Index: | 1.412-1.414 |
Stability: | Stable. Incompatible with strong oxidizing agents. Flammable. |
Vapor Pressure: | 14.7 [mmHg] |
GHS Hazard Statement: | H315 (20.68%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22972151 | 20121003 | Organocatalytic dynamic kinetic resolution via conjugate addition: synthesis of chiral trans-2,5-dialkylcyclohexanones | Organic & biomolecular chemistry |
22528041 | 20120529 | Synthesis of PCP-supported nickel complexes and their reactivity with carbon dioxide | Chemistry (Weinheim an der Bergstrasse, Germany) |
22514057 | 20120501 | Synthesis of 2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-3-((dimethylamino)methyl)camphor organocatalysts | Chirality |
22218496 | 20120221 | Some cyclization reactions of 1,3-diphenylbenzo[e][1,2,4]triazin-7(1H)-one: preparation and computational analysis of non symmetrical zwitterionic biscyanines | Organic & biomolecular chemistry |
21964571 | 20111128 | Chiral phosphinoferrocene carboxamides with amino acid substituents as ligands for Pd-catalysed asymmetric allylic substitutions. Synthesis and structural characterisation of catalytically relevant Pd complexes | Dalton transactions (Cambridge, England : 2003) |
Complexity: | 104 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 132.04225873 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 132.04225873 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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