Diethyl methylmalonate - CAS 609-08-5
Catalog: |
BB030854 |
Product Name: |
Diethyl methylmalonate |
CAS: |
609-08-5 |
Synonyms: |
diethyl 2-methylpropanedioate |
IUPAC Name: | diethyl 2-methylpropanedioate |
Description: | Diethyl methylmalonate (CAS# 609-08-5) is readily used as a moderately bulky nucleophile in organic synthesis. Diethyl methylmalonate is also used as a reagent to synthesize 7-alkylaminopyrazolo[1,5-a]pyrimidines, compounds that have antifungal properties. |
Molecular Weight: | 174.19 |
Molecular Formula: | C8H14O4 |
Canonical SMILES: | CCOC(=O)C(C)C(=O)OCC |
InChI: | InChI=1S/C8H14O4/c1-4-11-7(9)6(3)8(10)12-5-2/h6H,4-5H2,1-3H3 |
InChI Key: | UPQZOUHVTJNGFK-UHFFFAOYSA-N |
Boiling Point: | 198-199 °C |
Purity: | 95 % |
Density: | 1.013 g/cm3 |
Appearance: | Clear liquid |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00009162 |
LogP: | 0.74870 |
GHS Hazard Statement: | H315 (100%): 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 |
Publication Number | Title | Priority Date |
WO-2021209268-A1 | Beta-lactams and their use as herbicides | 20200414 |
RU-2738107-C1 | Method of producing 5-substituted-6-hydroxy-2,3-diphenylpyrimidin-4(3h)-ones | 20200306 |
WO-2021174205-A1 | Prodrugs of neuroactive steroids | 20200227 |
WO-2021152165-A1 | Macrocyclic rip2-kinase inhibitors | 20200131 |
WO-2021102204-A1 | Heteroaryl compounds | 20191120 |
PMID | Publication Date | Title | Journal |
22048617 | 20120201 | An erythromycin process improvement using the diethyl methylmalonate-responsive (Dmr) phenotype of the Saccharopolyspora erythraea mutB strain | Applied microbiology and biotechnology |
21589490 | 20101117 | 1-Butyl-4-hy-droxy-3-methyl-quinoline-2(1H)-one | Acta crystallographica. Section E, Structure reports online |
20338027 | 20100325 | A Cu2+ ion-selective fluoroionophore with dual off/on switches | Chemistry Central journal |
17550258 | 20070705 | Modular synthesis of a new family of tripodal ligands, all-cis-1,2,3-tris(diphenylphosphinomethyl)cyclopropane and relatives | Organic letters |
16534759 | 20060314 | NMR spectroscopy and MALDI-TOF MS characterisation of end-functionalised PVP oligomers prepared with different esters as chain transfer agents | Macromolecular bioscience |
Complexity: | 146 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.08920892 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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