Propargyl alcohol → Methyl 2-(3-hydroxyprop-1-yn-1-yl)benzoate

HRID 1130862Notes

Reaction equation

HRID 1130862 reaction equation
[CH2:12]([C:13]#[CH:14])[OH:15].[CH3:1][O:2][C:3]([c:4]1[c:5]([I:10])[cH:6][cH:7][cH:8][cH:9]1)=[O:11].[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[Cu:57][I:58].[Pd:16]([Cl:17])[Cl:18].[c:19]1([P:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33][cH:34][cH:35][cH:36][cH:37]1.[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[CH3:1][O:2][C:3]([c:4]1[c:5]([C:14]#[C:13][CH2:12][OH:15])[cH:6][cH:7][cH:8][cH:9]1)=[O:11]

Participants

7

Reactant 6

HCID 7859Propargyl alcoholHCID 8471TriethylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 69132Benzoic acid, 2-iodo-, methyl ester

Product 1

HCID 4321316Methyl 2-(3-hydroxyprop-1-yn-1-yl)benzoate

Sources & evidence

ORD record
ord-4e9cde178b1e4e878d1a63365e6450d2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…