Methyl β-oxocyclopropanepropanoate
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Methyl β-oxocyclopropanepropanoate
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CAS No:
32249-35-7
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Formula:
C7H10O3
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Chemical Name:
Methyl β-oxocyclopropanepropanoate
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Synonyms:
Cyclopropanepropanoic acid,β-oxo-,methyl ester;Methyl β-oxocyclopropanepropanoate;Methyl 3-cyclopropyl-3-oxopropanoate;Methyl 3-cyclopropyl-3-oxopropionate;3-Cyclopropyl-3-oxopropionic acid methyl ester;Methyl 2-(cyclopropylcarbonyl)acetate;3-Cyclopropyl-3-oxopropanoic acid methyl ester
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CAS No:
Safety Information
3
R36/37/38:Irritating to eyes, respiratory system and skin .
S26
Xi
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Methyl β-oxocyclopropanepropanoate Use and Manufacturing
Reference a.2 2-te/t-Butvl-4-f4-(3-chloro-propvl)-piperazin-1-vll-6-cvclopropvl-pyrimidine; a.2.1: Methyl-2-cvclopropanovl-acetate; 48.6 g of meldrum's acid (337.4 mmol) were dissolved in 200 ml of dichloromethane at room temperature and the solution was cooled to 0°C. 40 g of pyridine (506.1 mmol) were added to said solution. 35.3 g of cyclopropyl carbonic acid chloride (337.4 mmol) were then added at 0°C within 1 h. The reaction mixture was stirred overnight at room temperature, washed with 1 N HCI and extracted with dichloromethane. The organic layer was washed with water, dried over magnesium sulfate, filtered and then concentrated to dryness. The oily residue was dissolved in 300 ml of methanol and stirred under reflux for 2h. The reaction mixture was concentrated to dryness and the oily residue was purified by destination at 90 °C bath temperature to yield 42.7 g (71, 1 percent) of the title compound.MS (ESI) m/z: 143.1 [M+H]
A reagent used in the synthesis of Pitavastatin.
Computed Properties
Molecular Weight:142.15
XLogP3:0.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:142.062994177
Monoisotopic Mass:142.062994177
Topological Polar Surface Area:43.4
Heavy Atom Count:10
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Methyl β-oxocyclopropanepropanoate
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