4-(Chloromethyl)benzoyl chloride → 2-Hydroxy-5-{[(3-methylbut-2-enoyl)(4-{[(4-pentylbenzyl)amino]carbonyl}-benzyl)amino]methyl}benzoic acid

HRID 902801Notes

Reaction equation

HRID 902801 reaction equation
[CH2:1]([C:6]1[CH:13]=[CH:12][C:9]([CH2:10][NH2:11])=[CH:8][CH:7]=1)[CH2:2][CH2:3][CH2:4][CH3:5].Cl[CH2:15][C:16]1[CH:24]=[CH:23][C:19]([C:20](Cl)=[O:21])=[CH:18][CH:17]=1.[CH3:25][C:26]([CH3:31])=[CH:27][C:28](Cl)=[O:29].C(O)(=O)C.[NH2:36][CH2:37][C:38]1[CH:50]=[CH:49][C:41]2[O:42]C(C)(C)[O:44][C:45](=[O:46])[C:40]=2[CH:39]=1>>[OH:42][C:41]1[CH:49]=[CH:50][C:38]([CH2:37][N:36]([C:28](=[O:29])[CH:27]=[C:26]([CH3:31])[CH3:25])[CH2:15][C:16]2[CH:24]=[CH:23][C:19]([C:20]([NH:11][CH2:10][C:9]3[CH:12]=[CH:13][C:6]([CH2:1][CH2:2][CH2:3][CH2:4][CH3:5])=[CH:7][CH:8]=3)=[O:21])=[CH:18][CH:17]=2)=[CH:39][C:40]=1[C:45]([OH:46])=[O:44]

Participants

5

Reactant 4

HCID 701364-(Chloromethyl)benzoyl chlorideHCID 1023943-Methyl-2-butenoyl chlorideHCID 2775785(4-Pentylphenyl)methanamineHCID 674204786-(aminomethyl)-2,2-dimethyl-4H-1,3-benzodioxin-4-one acetate

Product 1

HCID 117860632-Hydroxy-5-{[(3-methylbut-2-enoyl)(4-{[(4-pentylbenzyl)amino]carbonyl}-benzyl)amino]methyl}benzoic acid

Procedure

The title compound was prepared following the procedure A using 4-pentylbenzylamine, 4-(chloromethyl)benzoyl chloride, 3-methylbut-2-enoyl chloride and 6-(aminomethyl)-2,2-dimethyl-4H-1,3-benzodioxin-4-one acetate. M+(ESI): 543.5

Sources & evidence

ORD record
ord-6ea6625a12f54ef3a5d18668bad41e44
Source dataset
uspto-grants-2008_04
Patent number
US07365225B2

Reaction notes

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