Methyl cyclopentanecarboxylate
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Methyl cyclopentanecarboxylate
structure -
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CAS No:
4630-80-2
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Formula:
C7H12O2
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Chemical Name:
Methyl cyclopentanecarboxylate
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Synonyms:
Cyclopentanecarboxylic acid,methyl ester;Methyl cyclopentanecarboxylate;1-(Methoxycarbonyl)cyclopentane;NSC 87553;Cyclopentanoic acid methyl ester
- Categories:
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CAS No:
Methyl cyclopentanecarboxylate Basic Attributes
128.17
128.17
225-049-7
87553
DTXSID50196806
2916209090
Characteristics
26.3
1.7
0.9859 g/cm3 @ Temp: 20 °C
77-78 °C
154.0-154.5 °C @ Press: 740 Torr
43.6±6.0 °C
1.451
Safety Information
S24/25
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory.
Methyl cyclopentanecarboxylate Use and Manufacturing
To a solution of cyclopentanecarboxylic acid (9.5 mL, 87.6 mmol) in dry CH2Cl2 (100mL) in an oven-dried flask equipped with an anhydrous CaCl2 tube was added oxalylchloride (8.8 mL, 105.1 mmol) dropwise, followed by 2 drops of DMF. After 7 h, theresulting mixture was concentrated in vacuo and the residue was taken up with MeOH(25 mL). After 19 h, the mixture was concentrated in vacuo and the residue was dissolvedin CH2Cl2 (100 mL), then washed with saturated NaHCO3 and brine. The combinedorganic layers were dried over anhydrous Na2SO4, filtered and concentrated in vacuo.The residue was purified by simple distillation to afford 2.8e (9.5 g, 74.3 mmol, 85 percentyield) as a colourless oil.
Computed Properties
Molecular Weight:128.17
XLogP3:1.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:128.083729621
Monoisotopic Mass:128.083729621
Topological Polar Surface Area:26.3
Heavy Atom Count:9
Complexity:104
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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