4-Ethynylbenzonitrile → HCID 67049981, compound

HRID 1875833Notes

Reaction equation

[CH:1]1([CH2:7][N:8]2[C:12]3[CH:13]=[CH:14][CH:15]=[CH:16][C:11]=3[N:10]=[C:9]2[C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=2CCC2C=CC(OCC(O)=O)=CC=2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[C:36]([C:38]1[CH:45]=[CH:44][C:41]([C:42]#[N:43])=[CH:40][CH:39]=1)#[CH:37]>>[CH:1]1([CH2:7][N:8]2[C:12]3[CH:13]=[CH:14][CH:15]=[CH:16][C:11]=3[N:10]=[C:9]2[C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=2[C:37]#[C:36][C:38]2[CH:45]=[CH:44][C:41]([C:42]#[N:43])=[CH:40][CH:39]=2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

Reactant 2

HCID 45472454-Ethynylbenzonitrile

HCID 51042279HCID 51042279, compound2×

Product 1

HCID 67049981HCID 67049981, compound

Procedure

The title compound was prepared in analogy to Example 72, intermediate a, from 2-(2-bromo-phenyl)-1-cyclohexylmethyl-1H-benzoimidazole (Example 79, intermediate e) and 4-ethynyl-benzonitrile (CAS Reg. No. 3032-92-6). Yellow solid (22%). MS (Turbo Spray): m/z=416.6 (M+H).

Sources & evidence

ORD record: ord-a8fd61e4c63d4f66a39296dda3767973
Source dataset: uspto-grants-2012_11
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US08309581B2

Reaction notes

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