Methanol → 5-tert-Butyl-isophthalic acid monomethyl ester

HRID 2162829Notes

Reaction equation

HRID 2162829 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:15](=[O:16])[O:17][CH3:18])[cH:8][c:9]([C:10](=[O:11])[O:12][CH3:13])[cH:14]1.[CH3:21][OH:22].[Na+:20].[OH-:19].[OH2:23]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:15](=[O:16])[OH:17])[cH:8][c:9]([C:10](=[O:11])[O:12][CH3:13])[cH:14]1

Participants

6

Reactant 5

HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 616620Dimethyl 5-tert-butylisophthalate

Product 1

HCID 121446585-tert-Butyl-isophthalic acid monomethyl ester

Sources & evidence

ORD record
ord-704203cb9cd2483c81719e1a41bee009
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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