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Iodine → Methyl 3-chloro-6-methylbenzo(b)thiophene-2-carboxylate

HRID 1941310
Notes
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Reaction equation

HRID 1941310 reaction equation
[CH3:1][C:2]1[CH:3]=[CH:4][C:5]2[C:9]([Cl:10])=[C:8]([C:11](Cl)=[O:12])[S:7][C:6]=2[CH:14]=1.[CH3:15][OH:16].Cl[Si](C)(C)C.II>C(OCC)(=O)C.CCCCCC>[CH3:1][C:2]1[CH:3]=[CH:4][C:5]2[C:9]([Cl:10])=[C:8]([C:11]([O:16][CH3:15])=[O:12])[S:7][C:6]=2[CH:14]=1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 4

HCID 807IodineHCID 887MethanolHCID 6397ChlorotrimethylsilaneHCID 123398623-Chloro-6-methylbenzo(b)thiophene-2-carbonyl chloride

Product 1

HCID 4154210Methyl 3-chloro-6-methylbenzo(b)thiophene-2-carboxylate

Reagents, catalysts & solvents 2

HCID 8058
Hexane
Solvent
HCID 8857Ethyl AcetateSolvent2×

Procedure

Crude 6-methyl-3-chlorobenzo[b]thiophene-2-carbonyl chloride (5 g, 20.46 mmoles) was transferred to a 250 ml round bottomed flask. Anhydrous methanol (Aldrich, 80 ml) was added and the acid chloride dissolved by stirring. To this stirred solution was added chlorotrimethylsilane (3.0 equivalents, 61.38 mmole, 6.68 g, 7.80 ml). The reaction mixture was stirred at room temperature and the progress of the reaction monitored by TLC (Silica, 1:1 hexane:ethyl acetate, and 100% ethyl acetate, iodine and UV visualization). The reaction was shown to be complete after 24 hours. The resulting slurry was concentrated in vacuo to give 4.80 g of a yellow solid, which was shown by 1H NMR (DMSO-D6, 400 MHz) to be the desired material. The crude methyl ester was shown to be pure and used directly.

Workup

  1. stirringThe reaction mixture was stirred at room temperature
  2. concentrationThe resulting slurry was concentrated in vacuo

Sources & evidence

ORD record
ord-9d416be269e943e18aeb8f899deec087
Source dataset
uspto-grants-1997_12
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US05703116

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes