HCID 11288995, compound → HCID 57841339, compound

HRID 733622Notes

Reaction equation

[CH2:1]([C:5]1[CH:10]=[CH:9][C:8]([C:11]#[C:12][C:13]2[CH:20]=[CH:19][C:16]([CH:17]=O)=[C:15]([F:21])[CH:14]=2)=[CH:7][CH:6]=1)[CH2:2][CH2:3][CH3:4].[NH2:22][C:23]1[CH:35]=[CH:34][C:26]2[O:27][C:28]([CH3:33])([CH3:32])[O:29][C:30](=[O:31])[C:25]=2[CH:24]=1>>[CH2:1]([C:5]1[CH:10]=[CH:9][C:8]([C:11]#[C:12][C:13]2[CH:20]=[CH:19][C:16]([CH2:17][NH:22][C:23]3[CH:35]=[CH:34][C:26]4[O:27][C:28]([CH3:32])([CH3:33])[O:29][C:30](=[O:31])[C:25]=4[CH:24]=3)=[C:15]([F:21])[CH:14]=2)=[CH:7][CH:6]=1)[CH2:2][CH2:3][CH3:4]

Participants

Reactant 2

HCID 11288995HCID 11288995, compound

HCID 116153306-Amino-2,2-dimethyl-benzo[1,3]dioxin-4-one

Product 1

HCID 57841339HCID 57841339, compound

Procedure

The titled compound was prepared following the procedure A using 4-[(4-butylphenyl)ethynyl]-2-fluorobenzaldehyde and 6-amino-2,2-dimethyl-4H-1,3-benzodioxin-4-one as a yellow powder (66%). 1H NMR (CDCl3, 300 MHz) δ 7.41 (d, J=7.9 Hz, 2H), 7.38-7.12 (m, 6H), 6.90-6.76 (m, 2H), 4.39 (s, 2H), 2.61 (t, J=7.7 Hz, 2H), 1.68 (s, 6H), 1.65-1.52 (m, 2H). 1.41-1.17 (m, 2H), 0.92 (t, J=7.3 Hz, 3H). M− (ESI): 456.1 HPLC, Rt: 5.66 min (Purity: 97.9%).

Sources & evidence

ORD record: ord-5d0505a4b8a848e5be27b36093d0e5b4
Source dataset: uspto-grants-2009_09
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US07589232B2

Reaction notes

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