2,4-Di-tert-butylphenol → 2,4,6-Tri-tert-butylphenol

HRID 94173

Reaction equation

HRID 94173 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([OH:15])[cH:7][cH:8][c:9]([C:11]([CH3:12])([CH3:13])[CH3:14])[cH:10]1.[CH2:16]([Al:17]([CH2:18][CH3:19])[CH2:20][CH3:21])[CH3:22].[CH2:23]=[C:24]([CH3:25])[CH3:26].[CH3:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([OH:15])[c:7]([C:24]([CH3:23])([CH3:25])[CH3:26])[cH:8][c:9]([C:11]([CH3:12])([CH3:13])[CH3:14])[cH:10]1

Participants

5

Reactant 4

HCID 73112,4-Di-tert-butylphenolHCID 8058HexaneHCID 8255IsobutyleneHCID 16682930Triethylaluminum

Product 1

HCID 129022,4,6-Tri-tert-butylphenol

Sources & evidence

ORD record
ord-a2e27d0d180547aea46d0df9cb42be72
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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