Diethyl Isobutylmalonate - CAS 10203-58-4
Catalog: |
BB000759 |
Product Name: |
Diethyl Isobutylmalonate |
CAS: |
10203-58-4 |
Synonyms: |
2-(2-methylpropyl)propanedioic acid diethyl ester; diethyl 2-(2-methylpropyl)propanedioate |
IUPAC Name: | diethyl 2-(2-methylpropyl)propanedioate |
Description: | Diethyl Isobutylmalonate (CAS# 10203-58-4) is used as a reagent in the synthesis of quinoline-based zinc metallo-aminopeptidase inhibitors which have antimalarial activity. |
Molecular Weight: | 216.27 |
Molecular Formula: | C11H20O4 |
Canonical SMILES: | CCOC(=O)C(CC(C)C)C(=O)OCC |
InChI: | InChI=1S/C11H20O4/c1-5-14-10(12)9(7-8(3)4)11(13)15-6-2/h8-9H,5-7H2,1-4H3 |
InChI Key: | OFRFGNSZCYDFOH-UHFFFAOYSA-N |
Boiling Point: | 110-112 °C |
Density: | 0.97 g/cm3 |
Appearance: | Colorless clear liquid |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00026869 |
LogP: | 1.77490 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2019175950-A | Semiconductor substrate with passivation layer, solar cell element, and solar cell | 20180327 |
JP-2019175951-A | Passive layer-attached semiconductor substrate and manufacturing method thereof, solar cell element and manufacturing method thereof, and solar cell | 20180327 |
EP-3650464-A1 | Peptide compound and application thereof, and composition containing peptide compound | 20170705 |
TW-201906856-A | Peptide compound, application thereof and composition containing same | 20170705 |
US-2020172575-A1 | Peptide compound and application thereof, and composition containing peptide compound | 20170705 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.13615911 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.13615911 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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