Hydrochloric Acid → HCID 178467499, compound

HRID 541355Notes

Reaction equation

HRID 541355 reaction equation
[CH:1]1([C:5]2[C:26]([C:27]3[NH:31][C:30]([O:32][CH2:33][CH3:34])=[N:29][N:28]=3)=[CH:25][C:8]([C:9]([N:11]3[CH2:16][CH2:15][CH:14]([C:17]4[CH:24]=[CH:23][C:20]([C:21]#[N:22])=[CH:19][CH:18]=4)[CH2:13][CH2:12]3)=[O:10])=[C:7]([CH2:35][CH3:36])[CH:6]=2)[CH2:4][CH2:3][CH2:2]1.Cl.[F:38]C1(C2C=CC(C#N)=CC=2)CCNCC1.Cl>CC#N>[CH:1]1([C:5]2[C:26]([C:27]3[NH:31][C:30]([O:32][CH2:33][CH3:34])=[N:29][N:28]=3)=[CH:25][C:8]([C:9]([N:11]3[CH2:12][CH2:13][C:14]([C:17]4[CH:18]=[CH:19][C:20]([C:21]#[N:22])=[CH:23][CH:24]=4)([F:38])[CH2:15][CH2:16]3)=[O:10])=[C:7]([CH2:35][CH3:36])[CH:6]=2)[CH2:4][CH2:3][CH2:2]1

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 682888554-(4-Fluoropiperidin-4-yl)benzonitrile hydrochlorideHCID 178467493HCID 178467493, compound2×

Product 1

HCID 178467499HCID 178467499, compound

Reagents, catalysts & solvents 1

HCID 6342AcetonitrileSolvent

Procedure

The title compound was prepared using standard chemical manipulations and procedures similar to those used for the preparation of 4-(1-(4-cyclobutyl-5-(5-ethoxy-4H-1,2,4-triazol-3-yl)-2-ethylbenzoyl)piperidin-4-yl)benzonitrile (compound 215) and using compound 11.2 HCl salt in place of compound 1.5. m/z (ES+) 502 [M+H]+, 543 [M+CH3CN+H]+. 1H-NMR (300 MHz, CD3OD): δ 7.73 (d, 2H), 7.64-7.58 (m, 2H), 7.39-7.26 (m, 2H), 4.89-4.82 (m, 1H), 4.35 (q, 2H), 4.10-3.95 (m, 1H), 3.50-3.38 (m, 2H), 3.30-3.27 (m, 1H), 2.75-2.65 (m, 2H), 2.22-1.86 (m, 10H), 1.41 (t, 3H), 1.35-1.20 (m, 3H).

Sources & evidence

ORD record
ord-0f21b7d32b54481b82d776a1c6d2e13d
Source dataset
uspto-grants-2014_10
Patent number
US08871790B2

Reaction notes

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