4-Iodobenzoyl chloride → HCID 68710987, compound

HRID 1256990Notes

Reaction equation

HRID 1256990 reaction equation
[I:1][C:2]1[CH:10]=[CH:9][C:5]([C:6](Cl)=[O:7])=[CH:4][CH:3]=1.[NH2:11][C:12]([CH3:28])([CH2:15][N:16]1[N:20]=[C:19]2[C:21]([Cl:27])=[CH:22][C:23]([Cl:26])=[C:24]([Cl:25])[C:18]2=[N:17]1)[C:13]#[N:14]>C1COCC1>[C:13]([C:12]([NH:11][C:6](=[O:7])[C:5]1[CH:9]=[CH:10][C:2]([I:1])=[CH:3][CH:4]=1)([CH3:28])[CH2:15][N:16]1[N:20]=[C:19]2[C:21]([Cl:27])=[CH:22][C:23]([Cl:26])=[C:24]([Cl:25])[C:18]2=[N:17]1)#[N:14]

Participants

4

Reactant 2

HCID 743734-Iodobenzoyl chlorideHCID 666199812-Amino-2-methyl-3-(4,5,7-trichloro-2H-benzotriazol-2-yl)-propionitrile

Product 1

HCID 68710987HCID 68710987, compound

Reagents, catalysts & solvents 1

HCID 8028TetrahydrofuranSolvent2×

Procedure

Using a procedure similar to that described in Example 60, except using a solution of 4-iodobenzoyl 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 (3.9 mg). It was dissolved in DMSO for further biological evaluation and analyzed by LCMS. MS (ES): M/Z [M+H]=534, RT=0.73 min.

Sources & evidence

ORD record
ord-697c7892d1a147ce8037230cd07ec819
Source dataset
uspto-grants-2013_06
Patent number
US08461176B2

Reaction notes

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