4-Chloro-3,5-dimethylphenol → 7-{3-[3-(4-Chloro-3,5-dimethylphenoxy)propyl]isoxazol-5-yl}-6-[cyclopropyl-(2,3-dichlorobenzyl)carbamoyl]-3,9-diazabicyclo[3.3.1]non-6-ene-3,9-dicarboxylic acid di-tert-butyl ester

HRID 1096866Notes

Reaction equation

HRID 1096866 reaction equation
Cl[C:2](Cl)(Cl)[C:3]([O:6][C:7]([N:9]1[CH:14]2[C:15]([C:27](=[O:41])[N:28]([CH:38]3[CH2:40][CH2:39]3)[CH2:29][C:30]3[CH:35]=[CH:34][CH:33]=[C:32]([Cl:36])[C:31]=3[Cl:37])=[C:16]([C:18]3[O:22][N:21]=[C:20]([CH2:23][CH2:24][CH2:25]O)[CH:19]=3)[CH2:17][CH:10]1[CH2:11][N:12]([C:42]([O:44][C:45]([CH3:48])([CH3:47])[CH3:46])=[O:43])[CH2:13]2)=[O:8])([CH3:5])[CH3:4].[Cl:51][C:52]1[C:57]([CH3:58])=[CH:56][C:55]([OH:59])=[CH:54][C:53]=1[CH3:60]>>[C:45]([O:44][C:42]([N:12]1[CH2:13][CH:14]2[N:9]([C:7]([O:6][C:3]([CH3:5])([CH3:4])[CH3:2])=[O:8])[CH:10]([CH2:17][C:16]([C:18]3[O:22][N:21]=[C:20]([CH2:23][CH2:24][CH2:25][O:59][C:55]4[CH:56]=[C:57]([CH3:58])[C:52]([Cl:51])=[C:53]([CH3:60])[CH:54]=4)[CH:19]=3)=[C:15]2[C:27](=[O:41])[N:28]([CH:38]2[CH2:39][CH2:40]2)[CH2:29][C:30]2[CH:35]=[CH:34][CH:33]=[C:32]([Cl:36])[C:31]=2[Cl:37])[CH2:11]1)=[O:43])([CH3:46])([CH3:47])[CH3:48]

Participants

3

Reactant 2

HCID 27234-Chloro-3,5-dimethylphenolHCID 866370706-[Cyclopropyl-(2,3-dichlorobenzyl)carbamoyl]-7-[3-(3-hydroxy-propyl)isoxazol-5-yl]-3,9-diazabicyclo[3.3.1]non-6-ene-3,9-dicarboxylic acid 3-tert-butyl ester 9-(2,2,2-trichloro-1,1-dimethylethyl) ester

Product 1

HCID 685712897-{3-[3-(4-Chloro-3,5-dimethylphenoxy)propyl]isoxazol-5-yl}-6-[cyclopropyl-(2,3-dichlorobenzyl)carbamoyl]-3,9-diazabicyclo[3.3.1]non-6-ene-3,9-dicarboxylic acid di-tert-butyl ester

Procedure

This compound is prepared from compound E6 and 4-chloro-3,5-dimethylphenol, according to the above-described procedure A. LC-MS: tR=1.33 min, ES+: 933.35.

Sources & evidence

ORD record
ord-81c81f0ede2a485d9289bf4c56395b45
Source dataset
uspto-grants-2012_03
Patent number
US08138340B2

Reaction notes

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