Benzoyl chloride → HCID 20757649, compound

HRID 23729Notes

Reaction equation

HRID 23729 reaction equation
[C:1]([O:9][CH2:10][CH:11]1[CH2:16][CH2:15][CH:14]([CH2:17][N:18]([CH2:39][C:40]2[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=2)[S:19]([NH:22][C:23](=[O:38])[C:24]2[CH:29]=[C:28]([C:30]([F:33])([F:32])[F:31])[CH:27]=[C:26]([C:34]([F:37])([F:36])[F:35])[CH:25]=2)(=[O:21])=[O:20])[CH2:13][CH2:12]1)(=[O:8])[C:2]1C=C[CH:5]=[CH:4][CH:3]=1.C(Cl)(=O)CCCC.C(Cl)(=O)C1C=CC=CC=1>>[C:1]([O:9][CH2:10][CH:11]1[CH2:16][CH2:15][CH:14]([CH2:17][N:18]([CH2:39][C:40]2[CH:41]=[CH:42][CH:43]=[CH:44][CH:45]=2)[S:19]([NH:22][C:23](=[O:38])[C:24]2[CH:25]=[C:26]([C:34]([F:35])([F:36])[F:37])[CH:27]=[C:28]([C:30]([F:33])([F:31])[F:32])[CH:29]=2)(=[O:21])=[O:20])[CH2:13][CH2:12]1)(=[O:8])[CH2:2][CH2:3][CH2:4][CH3:5]

Participants

4

Reactant 3

HCID 7412Benzoyl chlorideHCID 61186Valeryl chlorideHCID 22574465(4-{[Benzyl({[3,5-bis(trifluoromethyl)benzoyl]amino}sulfonyl)amino]methyl}cyclohexyl)methyl benzoate

Product 1

HCID 20757649HCID 20757649, compound

Procedure

Following procedure to make (5), valeryl chloride was substituted for benzoyl chloride to give the title compound after purification. 1H NMR (500 MHz, DMSO-d6): δ 8.45 (s, 2H), 8.14 (s, 1H), 7.36 (d, 2H), 7.25 (t, 2H), 7.17 (t, 1H), 4.38 (s, 2H), 3.70 (d, 2H), 3.30 (water), 2.917 (d, 2H), 2.48 (DMSO), 2.22 (t, 2H), 1.62 (m, 2H), 1.52 (m, 2H), 1.45 (m, 2H), 1.37 (m, 1H), 1.26 (m, 1H), 1.22 (m, 2H), 0.82 (t, 3H), 0.63 (m, 4H).

Sources & evidence

ORD record
ord-d6f2eef6b0f444038a9660dc991fff7e
Source dataset
uspto-grants-2005_02
Patent number
US06852738B2

Reaction notes

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