4-Amino-3-fluorobenzonitrile → HCID 67049964, compound

HRID 1875843Notes

Reaction equation

CO[C:3](=[O:28])[C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[C:10]1[N:14]([CH2:15][CH:16]2[CH2:21][CH2:20][CH2:19][CH2:18][CH2:17]2)[C:13]2[CH:22]=[C:23]([F:27])[C:24]([F:26])=[CH:25][C:12]=2[N:11]=1.[NH2:29][C:30]1[CH:37]=[CH:36][C:33]([C:34]#[N:35])=[CH:32][C:31]=1[F:38]>>[C:34]([C:33]1[CH:36]=[CH:37][C:30]([NH:29][C:3](=[O:28])[C:4]2[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=2[C:10]2[N:14]([CH2:15][CH:16]3[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]3)[C:13]3[CH:22]=[C:23]([F:27])[C:24]([F:26])=[CH:25][C:12]=3[N:11]=2)=[C:31]([F:38])[CH:32]=1)#[N:35]

Participants

Reactant 2

HCID 27564314-Amino-3-fluorobenzonitrile

HCID 67049833HCID 67049833, compound

Product 1

HCID 67049964HCID 67049964, compound

Procedure

The title compound was prepared in analogy to Example 85, from 2-(1-cyclohexylmethyl-5,6-difluoro-1H-benzoimidazol-2-yl)-benzoic acid methyl ester and 4-amino-3-fluoro-benzonitrile (CAS Reg. No. 63069-50-1). Off-white powder (65%). MS (Turbo Spray): m/z=489.6 (M+H).

Sources & evidence

ORD record: ord-272893168512442aba63c63790ec8808
Source dataset: uspto-grants-2012_11
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US08309581B2

Reaction notes

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