Hydrogen Bromide → 5-Bromo-2,2-difluoropentanoic acid

HRID 1129145Notes

Reaction equation

HRID 1129145 reaction equation
[BrH:55].[CH3:11][O:12][C:13]([CH:14]1[CH2:15][CH2:16][CH2:17][O:18]1)=[O:19].[CH3:20][O:21][C:22](=[O:23])[CH:24]([O:25][C:26](=[O:27])[CH3:28])[CH2:29][CH2:30][CH2:31][Br:32].[CH3:33][C:34]([O:35][C:36](=[O:37])[CH3:38])=[O:39].[CH3:40][O:41][C:42]([C:43]([CH2:44][CH2:45][CH2:46][Br:47])([F:48])[F:49])=[O:50].[CH3:63][OH:64].[F:51][B:52]([F:53])[F:54].[F:56][Mo:57]([F:58])([F:59])([F:60])([F:61])[F:62].[PH4+:1].[o:2]1[cH:3][cH:4][cH:5][c:6]1[C:7]([O:8][CH3:9])=[O:10]>>[O:41]=[C:42]([C:43]([CH2:44][CH2:45][CH2:46][Br:47])([F:48])[F:49])[OH:50]

Participants

11

Reactant 10

HCID 260Hydrogen BromideHCID 887MethanolHCID 6356Boron trifluorideHCID 7918Acetic AnhydrideHCID 11902Methyl 2-furoateHCID 82219Molybdenum fluoride (MoF6), (OC-6-11)-HCID 169922Methyl tetrahydrofuran-2-carboxylateHCID 5460504PhosphoniumHCID 13769947Methyl 2-(acetyloxy)-5-bromopentanoateHCID 13769950Methyl 5-bromo-2,2-difluoropentanoate

Product 1

HCID 137699515-Bromo-2,2-difluoropentanoic acid

Sources & evidence

ORD record
ord-ce7849db813f432483b6b862d9ff3345
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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