Propargyl alcohol → Ethyl 2-[3-(3-hydroxy-propyl)-phenoxy]-2-methyl-propionate

HRID 210248Notes

Reaction equation

HRID 210248 reaction equation
[Br:1][c:2]1[cH:3][c:4]([O:5][C:6]([C:7](=[O:8])[O:9][CH2:10][CH3:11])([CH3:12])[CH3:13])[cH:14][cH:15][cH:16]1.[CH2:17]([C:18]#[CH:19])[OH:20].[CH:21]([NH:22][CH:23]([CH3:24])[CH3:25])([CH3:26])[CH3:27].[Cu:69][I:70].[Pd:28]([Cl:29])[Cl:30].[c:31]1([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46][cH:47][cH:48][cH:49]1.[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1>>[c:2]1([CH2:19][CH2:18][CH2:17][OH:20])[cH:3][c:4]([O:5][C:6]([C:7](=[O:8])[O:9][CH2:10][CH3:11])([CH3:12])[CH3:13])[cH:14][cH:15][cH:16]1

Participants

7

Reactant 6

HCID 7859Propargyl alcoholHCID 7912DiisopropylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 5197437Ethyl 2-(3-bromophenoxy)-2-methylpropanoate

Product 1

HCID 59298819Ethyl 2-[3-(3-hydroxy-propyl)-phenoxy]-2-methyl-propionate

Sources & evidence

ORD record
ord-ca30577648604fe996e1a886276e62ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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