Citric Acid → [3-(4-Chlorophenyl)oxiran-2-yl]methanol

HRID 821971Notes

Reaction equation

HRID 821971 reaction equation
[C:12]([CH3:14])([CH3:15])([O:16][OH:13])[CH3:17].[C:19]([OH:20])(=[O:21])[CH2:22][C:23]([CH2:24][C:25]([OH:26])=[O:27])([C:28]([OH:29])=[O:30])[OH:31].[CH2:61]([Cl:62])[Cl:63].[CH3:32][CH:33]([CH3:34])[O-:35].[CH3:36][CH:37]([CH3:38])[O-:39].[CH3:40][CH:41]([CH3:42])[O-:43].[CH3:44][CH:45]([CH3:46])[O-:47].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:6]=[CH:7][CH2:8][OH:9])[cH:10][cH:11]1.[Fe+2:60].[OH2:18].[OH2:49].[OH2:50].[OH2:51].[OH2:52].[OH2:53].[OH2:54].[S:55]([O-:56])([O-:57])(=[O:58])=[O:59].[Ti+4:48]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:6]2[CH:7]([CH2:8][OH:9])[O:16]2)[cH:10][cH:11]1

Participants

10

Reactant 9

HCID 311Citric AcidHCID 962Water7×HCID 1117Sulfate IonHCID 6344DichloromethaneHCID 6410tert-Butyl hydroperoxideHCID 27284Ferrous cationHCID 114942Titanium cation (4+)HCID 3611733-(4-Chlorophenyl)prop-2-en-1-olHCID 3260420Isopropanolate4×

Product 1

HCID 13608881[3-(4-Chlorophenyl)oxiran-2-yl]methanol

Sources & evidence

ORD record
ord-5da29fb41f6044baa6be3c12825289a0
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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