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CAS 387-45-1

2-chloro-6-fluorobenzaldehyde2-Chloro-6-fluorobenzaldehyde

Codes: BREX-007, (I)70425-1-a

Application context (from source-drug indications)

SchizophreniaBrexpiprazoleAlzheimer's diseaseBrexpiprazoleAgitationBrexpiprazoleDepressionBrexpiprazoleDepressive disorderBrexpiprazoleMajor depressive disorderBrexpiprazoleBacterial infectionFloxacillin sodium蜂窝织炎Floxacillin sodiumChronic renal impairmentFloxacillin sodium

Source drugs (routes using this intermediate)

DrugTierExpiry
BrexpiprazoleTier A — Act now2029
Floxacillin sodiumTier C — Watch / trade-

Position in synthesis routes (up/downstream chain)

Ordered by route registration; left → right is the synthesis direction. The highlighted node is the current CAS; others link to their own profiles.

BrexpiprazoleOptimised routesteps: 5total yield: 1.3 g
2-chloro-6-fluorobenzaldehyde→tert-butyl piperazine-1-carboxylate→tert-butyl 4-(3-chloro-2-formylphenyl)piperazine-1-carboxylate→ethyl 2-mercaptoacetate→tert-butyl 4-(2-(ethoxycarbonyl)benzo[b]thiophen-4-yl)piperazine-1-carboxylate→4-(4-(tert-butoxycarbonyl)piperazin-1-yl)benzo[b]thiophene-2-carboxylic acid→tert-butyl 4-(benzo[b]thiophen-4-yl)piperazine-1-carboxylate
BrexpiprazoleProcess routesteps: 7total yield: 14.3 g
2-chloro-6-fluorobenzaldehyde→2-thioxothiazolidin-4-one→(Z)-5-(2,6-dichlorobenzylidene)-2-thioxothiazolidin-4-one→(Z)-3-(2,6-dichlorophenyl)-2-mercaptoacrylic acid→4-chlorobenzo[b]thiophene-2-carboxylic acid→4-chlorobenzo[b]thiophene→7-hydroxyquinolin-2(1H)-one→1-bromo-4-chlorobutane→7-(4-chlorobutoxy)quinolin-2(1H)-one→1-(benzo[b]thiophen-4-yl)piperazine hydrochloride

Intermediates available on this site

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