Butyric Acid → Beta-Isophorone

HRID 2188351Notes

Reaction equation

HRID 2188351 reaction equation
[CH2:1]([C:5]([CH2:7][CH:8]([CH3:10])[CH3:9])=[O:6])[CH:2]([CH3:4])[CH3:3].C(O)(=O)C(C)C.C(O)(=O)CC(C)C.C(O)(=O)CCCC.C(O)(=O)CCC>C(O)(=O)C.C(O)=O>[CH3:9][C:8]1[CH2:7][C:5](=[O:6])[CH2:1][C:2]([CH3:4])([CH3:3])[CH:10]=1

Participants

8

Reactant 5

HCID 264Butyric AcidHCID 6590Isobutyric AcidHCID 7958Isobutyl ketoneHCID 7991Pentanoic AcidHCID 10430Isovaleric Acid

Product 1

HCID 10108Beta-Isophorone

Reagents, catalysts & solvents 2

HCID 176Acetic AcidSolventHCID 284Formic AcidSolvent

Procedure

The source of the acid component cannot be determined exactly, but it may be ascribed to something decomposed in the oxidation reaction procedure. For example, the acid component may be ascribed to the solvent (e.g., diisobutyl ketone) decomposed in the oxidation reaction (e.g., decomposed into a C1-10carboxylic acid, such as formic acid, acetic acid, isobutyric acid, isovaleric acid), or to a by-product (e.g., valeric acid, butyric acid) produced in the step of forming the starting material β-isophorone derivative (isomerization step of α-isophorone).

Workup

  1. customdecomposed in the oxidation reaction procedure
  2. customdecomposed in the oxidation reaction (e.g.
  3. customproduced in the step

Sources & evidence

ORD record
ord-1489a864631d44a7ab46a877ac1936e8
Source dataset
uspto-grants-2002_06
Patent number
US06410797B1

Reaction notes

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