Hydrochloric Acid → HCID 88432127, compound

HRID 1752156Notes

Reaction equation

HRID 1752156 reaction equation
[CH2:1]=[C:2]([NH:4][C:5]1[N:6]=[C:7]([N:15]([CH3:18])[O:16][CH3:17])[C:8]2[CH:13]=[CH:12][N:11]([CH3:14])[C:9]=2[N:10]=1)[CH3:3].[ClH:19]>O>[ClH:19].[CH2:1]=[C:2]([NH:4][C:5]1[N:6]=[C:7]([N:15]([CH3:18])[O:16][CH3:17])[C:8]2[CH:13]=[CH:12][N:11]([CH3:14])[C:9]=2[N:10]=1)[CH3:3]

Participants

4

Reactant 2

HCID 313Hydrochloric AcidHCID 57378245HCID 57378245, compound

Product 1

HCID 88432127HCID 88432127, compound

Reagents, catalysts & solvents 1

HCID 962WaterSolvent

Procedure

N-(2-(Propen-2-yl)amino-7-methyl-pyrrolo[2,3 d]pyrimidin-4-yl)-N,O-dimethyl-hydroxylamine (310 mg, 1.32 mmol) was dissolved in H2O (5 mL) and 0.5 M aqueous HCl solution (2.7 mL), and the solution was lyophilized to yield N-(2-(propen-2-yl)amino-7-methyl-pyrrolo[2,3 d]pyrimidin-4-yl)-N,O-dimethyl-hydroxylamine hydrochloride (CLIX, 325 mg) as a white solid. LCMS (ESI) m/z=248 (M+H)+. 1H NMR (500 MHz, DMSO) δ (ppm) 12.60-14.80 (br, 1H), 7.70-8.70 (br, 1H), 7.06 (s, 1H), 6.55 (s, 1H), 5.90-5.94 (m, 1H), 5.31 (d, J=17.0 Hz, 1H), 5.17 (d, J=10.5 Hz, 1H), 4.06 (s, 2H), 3.84 (s, 3H), 3.70 (s, 3H), 3.53 (s, 3H).

Sources & evidence

ORD record
ord-74f5c6d197ee47ea97db824c8201439c
Source dataset
uspto-grants-2015_10
Patent number
US09162992B2

Reaction notes

Loading…