Thionyl Chloride → 2,2,4,4-Tetramethyl-chroman-6-carboxylic acid 4-(tert-butoxycarbonylmethyl)phenyl ester

HRID 1200585Notes

Reaction equation

HRID 1200585 reaction equation
[C:18]([CH3:19])([CH3:20])([CH3:21])[O:22][C:23]([CH2:24][c:25]1[cH:26][cH:27][c:28]([OH:31])[cH:29][cH:30]1)=[O:32].[CH3:1][C:2]1([CH3:17])[O:3][c:4]2[cH:5][cH:6][c:7]([C:14](=[O:15])[OH:16])[cH:8][c:9]2[C:10]([CH3:12])([CH3:13])[CH2:11]1.[S:33]([Cl:34])([Cl:35])=[O:36]>>[CH3:1][C:2]1([CH3:17])[O:3][c:4]2[cH:5][cH:6][c:7]([C:14]([O:15][c:28]3[cH:27][cH:26][c:25]([CH2:24][C:23]([O:22][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:32])[cH:30][cH:29]3)=[O:16])[cH:8][c:9]2[C:10]([CH3:12])([CH3:13])[CH2:11]1

Participants

4

Reactant 3

HCID 24386Thionyl ChlorideHCID 157287092,2,4,4-Tetramethyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acidHCID 15932404Tert-butyl 2-(4-hydroxyphenyl)acetate

Product 1

HCID 695485442,2,4,4-Tetramethyl-chroman-6-carboxylic acid 4-(tert-butoxycarbonylmethyl)phenyl ester

Sources & evidence

ORD record
ord-cfc6b921004341a29187eca6f76f7628
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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