Hydrochloric Acid → 5-tert-Butyl-isophthalic acid monomethyl ester

HRID 1206959Notes

Reaction equation

HRID 1206959 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.[CH2:22]1[O:23][CH2:24][CH2:25][CH2:26]1.[ClH:28].[Li+:21].[OH-:20].[OH2:19].[OH2:27]>>[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

7

Reactant 6

HCID 313Hydrochloric AcidHCID 961HydroxideHCID 962Water2×HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 616620Dimethyl 5-tert-butylisophthalate

Product 1

HCID 121446585-tert-Butyl-isophthalic acid monomethyl ester

Sources & evidence

ORD record
ord-714125c178e149a5b06ef87125ef071f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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