Ammonia → 4-(3-(Pyrimidin-5-yl)isoxazol-5-yl)benzonitrile

HRID 390480Notes

Reaction equation

HRID 390480 reaction equation
[OH:1][N:2]=[C:3](Cl)[C:4]1[CH:5]=[N:6][CH:7]=[N:8][CH:9]=1.[C:11]([C:13]1[CH:20]=[CH:19][C:16]([C:17]#[N:18])=[CH:15][CH:14]=1)#[CH:12].N>>[N:6]1[CH:5]=[C:4]([C:3]2[CH:12]=[C:11]([C:13]3[CH:20]=[CH:19][C:16]([C:17]#[N:18])=[CH:15][CH:14]=3)[O:1][N:2]=2)[CH:9]=[N:8][CH:7]=1

Participants

4

Reactant 3

HCID 222AmmoniaHCID 45472454-EthynylbenzonitrileHCID 86636847N-Hydroxypyrimidine-5-carbimidoyl chloride

Product 1

HCID 445464194-(3-(Pyrimidin-5-yl)isoxazol-5-yl)benzonitrile

Procedure

The titled compound was prepared as the hydrochloride salt according to Method CB using the product of Example 44B (79 mg, 0.5 mmol) and 4-ethynylbenzonitrile (Aldrich, 64 mg, 0.5 mmol). 1H NMR (300 MHz, DMSO-d6) δ7.99 (s, 1H), 8.10 (s, 4H), 9.34 (s, 2H), 9.36 (s, 1H) ppm; MS (DCI/NH3) m/z 249 (M+H)+.

Sources & evidence

ORD record
ord-c47057bc60b743aea1edc8ce5122767d
Source dataset
uspto-grants-2013_02
Patent number
US08383658B2

Reaction notes

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