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1-(Benzo[b]thiophen-4-yl)piperazine
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Documentation

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Includes: HPLC, MASS/LC-MS, 1H NMR, FT-IR, Potency, Structure Elucidation Report (SER), and additional analytical data depending on the product.

846038-18-41-(Benzo[b]thiophen-4-yl)piperazine

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Catalogue No.:VE0025246
CAS No.:846038-18-4
Mol. Formula:C12H14N2S
Mol. Weight:218.32 g/mol

Additional information on CAS 846038-18-4

Parent drug

Brexpiprazole

IUPAC Name

1-(Benzo[b]thiophen-4-yl)piperazine

Pharmacopoeial Synonyms

N/A

Other Synonyms

4-(1-Piperazinyl)benzo(b)thiophene; 1-(1-Benzothiophen-4-yl)piperazine

Smiles

C12=C(N3CCNCC3)C=CC=C1SC=C2

InChI

InChI=1S/C12H14N2S/c1-2-11(14-7-5-13-6-8-14)10-4-9-15-12(10)3-1/h1-4, 9, 13H, 5-8H2

Description

1-(Benzo[b]thiophen-4-yl)piperazine (CAS 846038-18-4) | also known as 4-(1-piperazinyl)benzo[b]thiophene | is a structurally related process impurity encountered in synthetic routes to benzothiophene-derived APIs. It presents analytical challenges due to close polarity and UV absorption to target compounds and requires orthogonal characterization by HPLC with UV/MS | LC-MS/MS and NMR to confirm identity and quantify trace levels. Formation pathways include incomplete coupling or over-reduction of intermediates and thermal rearrangement during workup. Risk assessment should follow ICH impurity guidelines with limits set by toxicity data | controlled by optimized reaction conditions | targeted purification and validated analytical methods for routine release and stability testing.

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