6-Bromo-benzo[b]thiophene-2-carboxylic acid methyl ester → HCID 86635470, compound

HRID 2261845Notes

Reaction equation

[CH3:1][O:2][C:3]([C:5]1[C:13]2[C:8](=[CH:9][C:10]([C:14]3[CH:19]=[CH:18][C:17]([OH:20])=[CH:16][C:15]=3[CH3:21])=[CH:11][CH:12]=2)N(C)[CH:6]=1)=[O:4].COC(C1C2C=CC(Br)=CC=2[S:30]C=1)=O.[CH3:37][O:38][C:39]([C:41]1[S:45][C:44]2[CH:46]=[C:47](Br)[CH:48]=[CH:49][C:43]=2[CH:42]=1)=[O:40]>>[CH3:37][O:38][C:39]([C:41]1[S:45][C:44]2[CH:46]=[C:47]([C:14]3[CH:19]=[CH:18][C:17]([OH:20])=[CH:16][C:15]=3[CH3:21])[CH:48]=[CH:49][C:43]=2[CH:42]=1)=[O:40].[CH3:1][O:2][C:3]([C:5]1[C:13]2[CH:12]=[CH:11][C:10]([C:14]3[CH:19]=[CH:18][C:17]([OH:20])=[CH:16][C:15]=3[CH3:21])=[CH:9][C:8]=2[S:30][CH:6]=1)=[O:4]

Participants

Reactant 3

HCID 224740786-Bromo-benzo[b]thiophene-2-carboxylic acid methyl ester

HCID 57443282HCID 57443282, compound

HCID 66704132HCID 66704132, compound

Product 1

HCID 86635470HCID 86635470, compound

Procedure

The title compound is prepared essentially according to the preparation of 6-(4-hydroxy-2-methyl-phenyl)-1-methyl-1H-indole-3-carboxylic acid methyl ester, utilizing a 7:3 mixture of 6-bromo-benzo[b]thiophene-3-carboxylic acid methyl ester and 6-bromo-benzo[b]thiophene-2-carboxylic acid methyl ester. ES/MS m/e 297.0 (M−1).

Sources & evidence

ORD record: ord-f5d9898959fc42ebb2c6be5b9cec62be
Source dataset: uspto-grants-2010_12
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US07846960B2

Reaction notes

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