4-Cyanobenzoyl chloride → HCID 68709763, compound

HRID 1256992Notes

Reaction equation

HRID 1256992 reaction equation
[C:1]([C:3]1[CH:11]=[CH:10][C:6]([C:7](Cl)=[O:8])=[CH:5][CH:4]=1)#[N:2].[NH2:12][C:13]([CH3:29])([CH2:16][N:17]1[N:21]=[C:20]2[C:22]([Cl:28])=[CH:23][C:24]([Cl:27])=[C:25]([Cl:26])[C:19]2=[N:18]1)[C:14]#[N:15]>C1COCC1>[C:14]([C:13]([NH:12][C:7](=[O:8])[C:6]1[CH:10]=[CH:11][C:3]([C:1]#[N:2])=[CH:4][CH:5]=1)([CH3:29])[CH2:16][N:17]1[N:21]=[C:20]2[C:22]([Cl:28])=[CH:23][C:24]([Cl:27])=[C:25]([Cl:26])[C:19]2=[N:18]1)#[N:15]

Participants

4

Reactant 2

HCID 801724-Cyanobenzoyl chlorideHCID 666199812-Amino-2-methyl-3-(4,5,7-trichloro-2H-benzotriazol-2-yl)-propionitrile

Product 1

HCID 68709763HCID 68709763, compound

Reagents, catalysts & solvents 1

HCID 8028TetrahydrofuranSolvent2×

Procedure

Using a procedure similar to that described in Example 60, except using a solution of 4-cyanobenzoyl chloride (0.16 mmole) in THF and a solution of 2-amino-2-methyl-3-(4,5,7-trichloro-2H-benzotriazol-2-yl)-propionitrile (0.075 mmole, described in Example 39) in THF mixed with TEA (3% v./v.), the title compound was isolated as solid residue (4.2 mg). It was dissolved in DMSO for further biological evaluation and analyzed by LCMS. MS (ES): M/Z [M+H]=433, RT=0.64 min.

Sources & evidence

ORD record
ord-4ab3aaf0cbcd43c4a27bab05aae2e603
Source dataset
uspto-grants-2013_06
Patent number
US08461176B2

Reaction notes

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