Reaction #4159179
Related Literature (1)
openreactiondata ↗doi:10.1039/C8SC04228D
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-ae31350fb6c74b6aaa4e99e26b95ded3No renderable structure data available
CCCCC(=O)OChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | pentanoic acid |
|---|---|
| IUPAC Name | — |
| CAS Number | 109-52-4 |
| Database ID | 7991 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
pentanoic acid (CAS 109-52-4) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
Potential Applications
For professional research and industrial use only
Database ID 7991
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
12 reactions · 12 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-ae31350fb6c74b6aaa4e99e26b95ded3Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-f58cd755f2bb4b5fb6b3986c3d2a9e45Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-4da3680ca40747b99f7bdf4ca230ea9fConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-b524cac9bf674d1e80eee65cc08777c1Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-596582fe1e994ab497881a0e4c13ee40Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-896aa6f56e544572bf31d3b34a657d41Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-bcbbc093168d4cc7bd920ed6c6e908e5Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-094f0bba25fd4d9eaae8e7894aa847caConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-d68893c246fa48f185fb327c40043569Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: In reaction 19, cyclohexane was oxidized to a 1:7.1:6.0 mixture of adipic acid, cyclohexanone and cyclohexanol after 5 hours (turnovers: 21 (acid), 149 (ketone), 126 (alcohol); ˜6 % total conversion). The crude adipic acid product was collected by filtration after cooling the reaction mixture. Analyses of the isolated adipic acid were performed using elemental analysis, mass spectrometry, infrared spectroscopy, and 1H/13C NMR with comparisons to an authentic adipic acid sample. All analytical results showed that the isolated adipic acid (crude, washed with o-dichlorobenzene, but not recrystallized) was >95 % pure. NMR analysis showed that glutaric acid was also produced (<5 %) along with much lower amounts of shorter chain acids such as formic acid, butyric acid, valeric acid, etc. Only trace amounts of ketone and alcohol (and no adipic acid) were observed when the catalyst is omitted or replaced with 3 equivalents of dpphen alone. The crude adipic acid product was collected by filtration after cooling the reaction mixture All analytical results washed with o-dichlorobenzene not recrystallized)
Source ID: ord-ac5e1625f33f433e88ecedb5fdb86297Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of methyl 5-[(6,7-dichloro-2-cyclopentyl-2,3-dihydro-2-methyl-1-oxo-1H-inden-5-yl)oxy]pentanoate (14 g., 0.0339 mole), acetic acid (100 ml) and 6N hydrochloric acid (50 ml) is stirred and refluxed for 6 hours. The mixture is poured into water (400 ml) and the product which solidifies upon standing is removed by filtration and dried. The product is recrystallized from a mixture of tetrahydrofuran, ether and petroleum ether (50/100/200 ml) to give 12.5 g, of 5-[6,7-dichloro-2-cyclopentyl-2,3-dihydro-2-methyl-1-oxo-1-inden-5-yl)oxy)pentanoic acid, m.p. 106°-108° C. refluxed for 6 hours upon standing is removed by filtration dried The product is recrystallized from a mixture of tetrahydrofuran, ether and petroleum ether (50/100/200 ml) to give 12.5 g
Source ID: ord-28f09150da944c29a3fc6a3b688d4065Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of methyl 5-[(6,7-dichloro-2-cyclopentyl-2,3-dihydro-2-methyl-1-oxo-1H-inden-5-yl)oxy]pentanoate (14 g., 0.0339 mole), acetic acid (100 ml) and 6N hydrochloric acid (50 ml) is stirred and refluxed for 6 hours. The mixture is poured into water (400 ml) and the product which solidifies upon standing is removed by filtration and dried. The product is recrystallized from a mixture of tetrahydrofuran, ether and petroleum ether (50/100/200 ml) to give 12.5 g, of 5-[(6,7-dichloro-2-cyclopentyl-2,3-dihydro-2-methyl-1-oxo-1H-inden-5-yl)oxy)]pentanoic acid, m.p. 106°-108° C. refluxed for 6 hours upon standing is removed by filtration dried The product is recrystallized from a mixture of tetrahydrofuran, ether and petroleum ether (50/100/200 ml) to give 12.5 g
Source ID: ord-0506008420f949c3a15008d2c3fc8e68PubChem References
These sources are listed in the compound's public database record.
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