Acetic Acid → Phosphonic acid, dimethyl ester

HRID 293977

Reaction equation

HRID 293977 reaction equation
[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH3:13][O:14][C:15]([CH:16]([CH2:17][C:18]#[C:19][CH3:20])[CH3:21])=[O:22].[CH3:1][P:2]([O:3][CH3:4])([O:5][CH3:6])=[O:7].[CH3:23][C:24](=[O:25])[OH:26].[CH3:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37].[O:27]1[CH2:28][CH2:29][CH2:30][CH2:31]1>>[CH3:1][C:15]([CH:16]([CH2:17][C:18]#[C:19][CH3:20])[CH3:21])=[O:22].[PH:2]([O:3][CH3:4])([O:5][CH3:6])=[O:7]

Participants

8

Reactant 6

HCID 176Acetic AcidHCID 8028TetrahydrofuranHCID 8058HexaneHCID 12958Dimethyl methylphosphonateHCID 13361692Methyl 2-methylhex-4-ynoateHCID 178418339Butyllithium

Product 2

HCID 13361Phosphonic acid, dimethyl esterHCID 187198933-Methylhept-5-yn-2-one

Sources & evidence

ORD record
ord-1da58a156c4244fca4b72469053cd407
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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