4-(Piperidin-4-yl)benzonitrile--hydrogen chloride (1/1) → HCID 178425809, compound

HRID 1487882Notes

Reaction equation

HRID 1487882 reaction equation
[Cl:1][C:2]1[N:3]=[C:4]([CH2:17][OH:18])[NH:5][C:6]=1[C:7]1[CH:8]=[C:9]([CH:13]=[CH:14][C:15]=1[CH3:16])[C:10]([OH:12])=O.ClC1N=C(COC)NC=1C1C=C(C=CC=1C)C(O)=O.Cl.[F:39][C:40]1([C:44]2[CH:51]=[CH:50][C:47]([C:48]#[N:49])=[CH:46][CH:45]=2)[CH2:43][NH:42][CH2:41]1.Cl.N1CCC(C2C=CC(C#N)=CC=2)CC1>>[Cl:1][C:2]1[N:3]=[C:4]([CH2:17][OH:18])[NH:5][C:6]=1[C:7]1[CH:8]=[C:9]([CH:13]=[CH:14][C:15]=1[CH3:16])[C:10]([N:42]1[CH2:41][C:40]([C:44]2[CH:45]=[CH:46][C:47]([C:48]#[N:49])=[CH:50][CH:51]=2)([F:39])[CH2:43]1)=[O:12]

Participants

5

Reactant 4

HCID 193916184-(Piperidin-4-yl)benzonitrile--hydrogen chloride (1/1)HCID 900213344-(3-Fluoroazetidin-3-yl)benzonitrile hydrochloride2×HCID 178425891HCID 178425891, compound2×HCID 178494679HCID 178494679, compound

Product 1

HCID 178425809HCID 178425809, compound

Procedure

The title compound was prepared using standard chemical manipulations and procedures similar to those used for the preparation of compound 27, except 3-(4-chloro-2-(hydroxymethyl)-1H-imidazol-5-yl)-4-methylbenzoic acid (compound 28.1) was used in place of 3-(4-chloro-2-(methoxymethyl)-1H-imidazol-5-yl)-4-methylbenzoic acid (compound 27.5) and 4-(3-Fluoroazetidin-3-yl)benzonitrile hydrochloride (compound 43.4) was used in place of 4-(piperidin-4-yl)benzonitrile hydrochloride (compound 1.2). m/z (ES+) 425 (M+H)+.

Sources & evidence

ORD record
ord-3372b898946749b7a295cd00c75b0b62
Source dataset
uspto-grants-2016_08
Patent number
US09428502B2

Reaction notes

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