CAS 6940-78-9

1-bromo-4-chlorobutane4-Bromo-1-chlorobutane

Codes: BREX-002

Physicochemical properties & identification

Appearance: Colourless to pale-yellow clear liquid
Density: approx. 1.47 g/cm³ (20 °C)
Solubility: Insoluble in water; miscible with ethanol, diethyl ether and chloroform
Storage: Store sealed in a cool place, protected from light; an alkylating agent — handle with appropriate protection

Applications

· Bifunctional butyl alkylating agent: synthesis of the brexpiprazole side chain (the 1-chloro-4-bromobutane step) and other CNS drugs
· Linker synthesis for drug molecules and precursors of quaternary ammonium salts

Application context (from source-drug indications)

SchizophreniaBrexpiprazoleAlzheimer's diseaseBrexpiprazoleAgitationBrexpiprazoleDepressionBrexpiprazoleDepressive disorderBrexpiprazoleMajor depressive disorderBrexpiprazole

Source drugs (routes using this intermediate)

Drug	Tier	Expiry
Brexpiprazole	Tier A — Act now	2029

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.

BrexpiprazoleOriginator routesteps: 3total yield: 13.6 g

7-hydroxyquinolin-2(1H)-one→1-bromo-4-chlorobutane→7-(4-chlorobutoxy)quinolin-2(1H)-one→1-(benzo[b]thiophen-4-yl)piperazine hydrochloride→4-bromobenzo[b]thiophene→piperazine

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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