Acetamidine monohydrochloride → HCID 178432859, compound

HRID 1487884Notes

Reaction equation

HRID 1487884 reaction equation
I[C:2]1[C:3]([CH3:13])=[CH:4][C:5]([CH3:12])=[C:6]([CH:11]=1)[C:7]([O:9]C)=O.IC1C=C(C=C[C:24]=1[CH3:25])C(OC)=O.[ClH:26].[C:27](=[NH:30])([NH2:29])[CH3:28].Cl.COCC(=N)N.Cl.[NH:39]1[CH2:42][CH:41]([C:43]2[CH:50]=[CH:49][C:46]([C:47]#[N:48])=[CH:45][CH:44]=2)[CH2:40]1.Cl.N1CCC(C2C=CC(C#N)=CC=2)CC1>>[Cl:26][C:24]1[N:30]=[C:27]([CH3:28])[NH:29][C:25]=1[C:2]1[C:3]([CH3:13])=[CH:4][C:5]([CH3:12])=[C:6]([CH:11]=1)[C:7]([N:39]1[CH2:42][CH:41]([C:43]2[CH:50]=[CH:49][C:46]([C:47]#[N:48])=[CH:45][CH:44]=2)[CH2:40]1)=[O:9]

Participants

7

Reactant 6

HCID 67170Acetamidine monohydrochlorideHCID 135486022-Methoxyethanimidamide hydrochlorideHCID 13614033Methyl 3-iodo-4-methylbenzoateHCID 193916184-(Piperidin-4-yl)benzonitrile--hydrogen chloride (1/1)HCID 44828936Methyl 5-iodo-2,4-dimethylbenzoate2×HCID 552549914-(Azetidin-3-yl)benzonitrile hydrochloride2×

Product 1

HCID 178432859HCID 178432859, compound

Procedure

The title compound was prepared using standard chemical manipulations and procedures similar to those used for preparation of compound 27, except methyl 5-iodo-2,4-dimethylbenzoate (compound 31.1) was used in place of methyl 3-iodo-4-methylbenzoate (compound 5.3), acetimidamide hydrochloride was used in place of 2-methoxyacetimidamide (compound 4.7) 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+) 405 (M+H)+.

Sources & evidence

ORD record
ord-0b0adbe8f5244565bace0d62b74d62d6
Source dataset
uspto-grants-2016_08
Patent number
US09428502B2

Reaction notes

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