Methyl octanoate → 2-Propylheptyl octanoate

HRID 238903Notes

Reaction equation

HRID 238903 reaction equation
[CH2:1]([CH:4]([CH2:7][CH2:8][CH2:9][CH2:10][CH3:11])[CH2:5][OH:6])[CH2:2][CH3:3].C[O:13][C:14](=O)[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21]>>[C:14]([O:6][CH2:5][CH:4]([CH2:1][CH2:2][CH3:3])[CH2:7][CH2:8][CH2:9][CH2:10][CH3:11])(=[O:13])[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21]

Participants

3

Reactant 2

HCID 8091Methyl octanoateHCID 248472-Propyl-1-heptanol

Product 1

HCID 118553392-Propylheptyl octanoate

Conditions

Temperature
60 °C

Procedure

500 g 2-propylheptanol, 500 g octanoic acid methyl ester and 50 g Novozym 435 (Novo, Denmark: immobilized lipase—lipase B—from Candida antarctica) were heated under nitrogen for 5 h to 45° C. The temperature was then increased to 60° C. and vacuum (20 mbar) was applied. After 48 h under these conditions, the reaction was terminated. After the enzyme had been filtered off, the product accumulated as a colorless oil. Less than 1% of the educts could be detected by GC.

Workup

  1. customthe reaction was terminated
  2. filtrationAfter the enzyme had been filtered off

Sources & evidence

ORD record
ord-766af153dce94aa792420175ec9f62a8
Source dataset
uspto-grants-2014_02
Patent number
US08642652B2

Reaction notes

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