2-(Oxan-2-yl)ethan-1-amine--hydrogen chloride (1/1) → HCID 178426428, compound

HRID 579028Notes

Reaction equation

HRID 579028 reaction equation
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([C:9]2[CH:10]=[N:11][N:12]([C:15]3[CH:23]=[CH:22][C:18]([C:19]([OH:21])=O)=[CH:17][N:16]=3)[C:13]=2[OH:14])=[C:5]([CH3:24])[CH:4]=1)#[N:2].Cl.[O:26]1[CH2:31][CH2:30][CH2:29][CH2:28][CH:27]1[CH2:32][CH2:33][NH2:34]>>[C:1]([C:3]1[CH:8]=[CH:7][C:6]([C:9]2[CH:10]=[N:11][N:12]([C:15]3[CH:23]=[CH:22][C:18]([C:19]([NH:34][CH2:33][CH2:32][CH:27]4[CH2:28][CH2:29][CH2:30][CH2:31][O:26]4)=[O:21])=[CH:17][N:16]=3)[C:13]=2[OH:14])=[C:5]([CH3:24])[CH:4]=1)#[N:2]

Participants

3

Reactant 2

HCID 179987212-(Oxan-2-yl)ethan-1-amine--hydrogen chloride (1/1)HCID 178426451HCID 178426451, compound

Product 1

HCID 178426428HCID 178426428, compound

Procedure

The title compound was prepared in a manner similar to Example 198 using 6-(4-(4-cyano-2-methylphenyl)-5-hydroxy-1H-pyrazol-1-yl)nicotinic acid and 2-(tetrahydro-2H-pyran-2-yl)ethanamine hydrochloride. 1H NMR (400 MHz, DMSO-d6) δ ppm 1.13-1.27 (m, 1 H) 1.38-1.50 (m, 3 H) 1.60 (d, J=12.9 Hz, 1 H) 1.62-1.70 (m, 2 H) 1.71-1.82 (m, 1 H) 2.44 (s, 3 H) 3.26-3.33 (m, 2 H) 3.35-3.45 (m, 2 H) 3.87 (dd, J=11.0, 1.9 Hz, 1 H) 7.66 (dd, J=8.0, 1.4 Hz, 1 H) 7.72 (s, 1 H) 7.80 (d, J=8.1 Hz, 1 H) 8.16 (s, 1 H) 8.40 (br. s., 2 H) 8.67 (t, J=5.6 Hz, 1 H) 8.90 (t, J=1.5 Hz, 1 H) 13.18 (br. s., 1 H). MS m/z 432 [M+H]+.

Sources & evidence

ORD record
ord-dbfc8992b6aa4f068185a57781d5781a
Source dataset
uspto-grants-2015_05
Patent number
US09040522B2

Reaction notes

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