HCID 71295418, compound → HCID 14855354, compound

HRID 527180Notes

Reaction equation

HRID 527180 reaction equation
C[O:2][C:3]1[CH:8]=[CH:7][C:6]([N:9]2[CH2:14][CH2:13][N:12]([C:15]3[CH:20]=[CH:19][C:18]([N:21]4[C:25](=[O:26])[N:24]([CH2:27][CH2:28][CH2:29][CH2:30][CH3:31])[N:23]=[CH:22]4)=[CH:17][CH:16]=3)[CH2:11][CH2:10]2)=[CH:5][CH:4]=1>Br>[OH:2][C:3]1[CH:8]=[CH:7][C:6]([N:9]2[CH2:10][CH2:11][N:12]([C:15]3[CH:16]=[CH:17][C:18]([N:21]4[C:25](=[O:26])[N:24]([CH2:27][CH2:28][CH2:29][CH2:30][CH3:31])[N:23]=[CH:22]4)=[CH:19][CH:20]=3)[CH2:13][CH2:14]2)=[CH:5][CH:4]=1

Participants

3

Reactant 1

HCID 71295418HCID 71295418, compound

Product 1

HCID 14855354HCID 14855354, compoundYield 89%

Reagents, catalysts & solvents 1

HCID 260Hydrogen BromideSolvent

Procedure

This compound was synthesized as a white amorphous solid from 4g (43.4 mg, 0.103 mmol) in 48% aqueous HBr (1.0 mL) in 89% yield by following general procedure 1.4: 1H NMR (400 MHz, CDCl3, δH) 7.62 (s, 1H), 7.40 (t, J=10.1 Hz, 2H), 7.05-6.94 (m, 4H), 6.75 (d, J=8.5 Hz, 2H), 3.85 (t, J=7.2 Hz, 2H), 3.48-3.40 (m, 4H), 3.43-3.35 (m, 4H), 1.90-1.72 (m, 2H), 1.40-1.33 (m, 4H), 0.91 (t, J=6.9 Hz, 3H). MALDI-MS: 408.2 (M+H+), 430.2 (M+Na+).

Sources & evidence

ORD record
ord-545a697fcb324c1e92bfaa8069c232a6
Source dataset
uspto-grants-2016_05
Patent number
US09346791B2

Reaction notes

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