Citric Acid → Methyl 4-bromo-α,α-dimethylbenzenepropanoate

HRID 285020Notes

Reaction equation

HRID 285020 reaction equation
[Br:20][c:21]1[cH:22][cH:23][c:24]([CH2:25][Br:26])[cH:27][cH:28]1.[C:13]([CH:14]([CH3:15])[CH3:16])(=[O:17])[O:18][CH3:19].[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH3:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47].[CH:6]([NH:7][CH:8]([CH3:9])[CH3:10])([CH3:11])[CH3:12].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[OH:29][C:30]([CH2:31][C:32]([C:33](=[O:34])[OH:35])([CH2:36][C:37](=[O:38])[OH:39])[OH:40])=[O:41]>>[C:13]([C:14]([CH3:15])([CH3:16])[CH2:25][c:24]1[cH:23][cH:22][c:21]([Br:20])[cH:28][cH:27]1)(=[O:17])[O:18][CH3:19]

Participants

8

Reactant 7

HCID 311Citric AcidHCID 7912DiisopropylamineHCID 8028TetrahydrofuranHCID 8058HexaneHCID 11039Methyl isobutyrateHCID 685274-Bromobenzyl bromideHCID 178418339Butyllithium

Product 1

HCID 22503289Methyl 4-bromo-α,α-dimethylbenzenepropanoate

Sources & evidence

ORD record
ord-8a83963a8dcf429dbdb533c9657a7d80
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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