4-(Piperidin-4-yl)benzonitrile--hydrogen chloride (1/1) → HCID 178425796, compound

HRID 1488077Notes

Reaction equation

HRID 1488077 reaction equation
[CH3:1][C:2]1[CH:11]=[CH:10][C:5]([C:6](OC)=[O:7])=[CH:4][C:3]=1[C:12]1[NH:16][C:15]([N:17]2[CH2:21][CH2:20][CH2:19][CH2:18]2)=[N:14][C:13]=1[CH3:22].CC1NC(C2C(C)=CC(C)=C(C=2)C(OC)=O)=C(C)N=1.Cl.[NH:43]1[CH2:46][CH:45]([C:47]2[CH:54]=[CH:53][C:50]([C:51]#[N:52])=[CH:49][CH:48]=2)[CH2:44]1.Cl.N1CCC(C2C=CC(C#N)=CC=2)CC1>CCOC(C)=O>[CH3:1][C:2]1[CH:11]=[CH:10][C:5]([C:6]([N:43]2[CH2:46][CH:45]([C:47]3[CH:54]=[CH:53][C:50]([C:51]#[N:52])=[CH:49][CH:48]=3)[CH2:44]2)=[O:7])=[CH:4][C:3]=1[C:12]1[NH:16][C:15]([N:17]2[CH2:21][CH2:20][CH2:19][CH2:18]2)=[N:14][C:13]=1[CH3:22]

Participants

6

Reactant 4

HCID 193916184-(Piperidin-4-yl)benzonitrile--hydrogen chloride (1/1)HCID 552549914-(Azetidin-3-yl)benzonitrile hydrochloride2×HCID 178497363HCID 178497363, compoundHCID 178497723HCID 178497723, compound2×

Product 1

HCID 178425796HCID 178425796, compound

Reagents, catalysts & solvents 1

HCID 8857Ethyl AcetateSolvent

Procedure

The title compound was prepared using standard chemical manipulations and procedures similar to those used for the preparation of compound 1, except methyl 4-methyl-3-(4-methyl-2-(pyrrolidin-1-yl)-1H-imidazol-5-yl)benzoate (compound 197.3) was used in place of methyl 5-(2,4-dimethyl-1H-imidazol-5-yl)-2,4-dimethylbenzoate (compound 1.7) and 4-(azetidin-3-yl)benzonitrile hydrochloride (compound 5.2) was used in place of 4-(piperidin-4-yl)benzonitrile hydrochloride (compound 1.2). m/z (ES+) 426 (M+H)+.

Sources & evidence

ORD record
ord-72110a1c4dc945578559086c82962951
Source dataset
uspto-grants-2016_08
Patent number
US09428502B2

Reaction notes

Loading…