Methyl 2-oxocyclopentanecarboxylate - CAS 10472-24-9
Catalog: |
BB001468 |
Product Name: |
Methyl 2-oxocyclopentanecarboxylate |
CAS: |
10472-24-9 |
Synonyms: |
methyl 2-oxocyclopentane-1-carboxylate |
IUPAC Name: | methyl 2-oxocyclopentane-1-carboxylate |
Description: | Methyl 2-oxocyclopentanecarboxylate (CAS# 10472-24-9) is used in the synthesis of functionalized ketones. |
Molecular Weight: | 142.15 |
Molecular Formula: | C7H10O3 |
Canonical SMILES: | COC(=O)C1CCCC1=O |
InChI: | InChI=1S/C7H10O3/c1-10-7(9)5-3-2-4-6(5)8/h5H,2-4H2,1H3 |
InChI Key: | PZBBESSUKAHBHD-UHFFFAOYSA-N |
Boiling Point: | 102-104 °C (11 mmHg) |
Density: | 1.054 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00001411 |
LogP: | 0.52860 |
GHS Hazard Statement: | H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113429273-A | Synthesis method of metconazole intermediate | 20210609 |
CN-112876507-A | Trisubstituted olefin tertiary phosphine compound and preparation method thereof | 20210331 |
CN-113004133-A | Preparation method of 2, 2-dimethyl cyclopentanone | 20210205 |
CN-112574141-A | Synthesis method of beta-chloro alpha, gamma-dicarbonyl compound | 20201225 |
CN-111995586-A | Synthetic method of agricultural herbicide | 20200927 |
PMID | Publication Date | Title | Journal |
22191539 | 20120118 | Asymmetric Diels-Alder and Ficini reactions with alkylidene β-ketoesters catalyzed by chiral ruthenium PNNP complexes: mechanistic insight | Journal of the American Chemical Society |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.062994177 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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