Propargyl alcohol → Methyl 4-(3-hydroxyprop-1-ynyl)benzoate

HRID 1137141Notes

Reaction equation

HRID 1137141 reaction equation
[CH2:13]([C:14]#[CH:15])[OH:16].[CH2:17]([NH:18][CH2:19][CH3:20])[CH3:21].[I-:12].[I:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1.[Pd:22]([Cl:23])[Cl:24].[c:25]1([P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:39][cH:40][cH:41][cH:42][cH:43]1.[c:44]1([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59][cH:60][cH:61][cH:62]1>>[c:2]1([C:15]#[C:14][CH2:13][OH:16])[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1

Participants

7

Reactant 6

HCID 7859Propargyl alcoholHCID 8021DiethylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 30165Iodide IonHCID 69273Methyl 4-iodobenzoate

Product 1

HCID 4448596Methyl 4-(3-hydroxyprop-1-ynyl)benzoate

Sources & evidence

ORD record
ord-91328db8425349fca2d40b7bdc0632dc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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