Acetamidine monohydrochloride → HCID 178432857, compound

HRID 1487885Notes

Reaction equation

I[C:2]1[CH:3]=[C:4]([CH:9]=[CH:10][CH:11]=1)[C:5]([O:7]C)=O.IC1C=C(C=C[C:22]=1[CH3:23])C(OC)=O.[ClH:24].[C:25](=[NH:28])([NH2:27])[CH3:26].Cl.COCC(=N)N.Cl.[NH:37]1[CH2:40][CH:39]([C:41]2[CH:48]=[CH:47][C:44]([C:45]#[N:46])=[CH:43][CH:42]=2)[CH2:38]1.Cl.N1CCC(C2C=CC(C#N)=CC=2)CC1>>[Cl:24][C:22]1[N:28]=[C:25]([CH3:26])[NH:27][C:23]=1[C:2]1[CH:3]=[C:4]([CH:9]=[CH:10][CH:11]=1)[C:5]([N:37]1[CH2:40][CH:39]([C:41]2[CH:48]=[CH:47][C:44]([C:45]#[N:46])=[CH:43][CH:42]=2)[CH2:38]1)=[O:7]

Participants

Reactant 6

HCID 67170Acetamidine monohydrochloride

HCID 69258Methyl 3-iodobenzoate

HCID 135486022-Methoxyethanimidamide hydrochloride

HCID 13614033Methyl 3-iodo-4-methylbenzoate

HCID 193916184-(Piperidin-4-yl)benzonitrile--hydrogen chloride (1/1)

HCID 552549914-(Azetidin-3-yl)benzonitrile hydrochloride2×

Product 1

HCID 178432857HCID 178432857, compound

Procedure

The title compound was prepared using standard chemical manipulations and procedures similar to those used for preparation of compound 27, except methyl 3-iodobenzoate 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+) 377 (M+H)+.

Sources & evidence

ORD record: ord-a24844e7a0ef494da4c59f1480207cdb
Source dataset: uspto-grants-2016_08
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US09428502B2

Reaction notes

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