Hydrochloric Acid → HCID 86665992, compound

HRID 530081Notes

Reaction equation

HRID 530081 reaction equation
[C:1]12[N:23]=[C:15]([N:16]=[C:17]([N:19]([CH3:22])[O:20][CH3:21])[N:18]=1)[NH:14][CH2:13][CH2:12][O:11][CH2:10][CH2:9][O:8][CH2:7][CH2:6][O:5][CH2:4][CH2:3][NH:2]2.[ClH:24]>O>[ClH:24].[C:15]12[N:23]=[C:1]([N:18]=[C:17]([N:19]([CH3:22])[O:20][CH3:21])[N:16]=1)[NH:2][CH2:3][CH2:4][O:5][CH2:6][CH2:7][O:8][CH2:9][CH2:10][O:11][CH2:12][CH2:13][NH:14]2

Participants

4

Reactant 2

HCID 313Hydrochloric AcidHCID 57378132HCID 57378132, compound

Product 1

HCID 86665992HCID 86665992, compound

Reagents, catalysts & solvents 1

HCID 962WaterSolvent

Procedure

N-(5,8,11-Trioxa-2,14,16,18,19-pentaazabicyclo[13.3.1]nonadeca-1(18),15(19),16(17)-trien-17-yl)-N,O-dimethylhydroxylamine (CXVII) (700 mg, 2.1 mmol) was dissolved in H2O (10 mL) and 0.5 M aqueous HCl solution (4.3 mL), and the resultant solution was lyophilized to yield N-(5,8,11-trioxa-2,14,16,18,19-pentaazabicyclo[13.3.1]nonadeca-1(18),15(19),16(17)-trien-17-yl)-N,O-dimethylhydroxylamine hydrochloride (CXVIII) (750) mg as a colorless oil. LCMS: (ESI) m/z=329 (M+H)+. 1H NMR (500 MHz, DMSO) δ (ppm) 11.50-12.60 (br, 1H), 8.61 (s, 2H), 3.77 (s, 3H), 3.30-3.62 (m, 16H), 3.30 (s, 3H).

Sources & evidence

ORD record
ord-cc5d88e76e3c464daea6683a3d545143
Source dataset
uspto-grants-2016_05
Patent number
US09351972B2

Reaction notes

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