4-Isobutoxybenzylamine acetate

CAS No.

955997-89-4

Synonyms

4-(2-Methylpropoxy)benzenemethanamine acetate (1:1); also listed as 4-(2-Methylpropoxy)-benzenemethanamine HAC

Molecular formula

C13H21NO3

Molecular weight

239.31 g/mol

Grade

Reagent grade

Packaging

Aluminum foil laminate bag / Fiber drum with PE liner

Chemical Product Description & Applications

4-Isobutoxybenzylamine acetate is an isolable salt form of the benzylamine fragment used in pimavanserin synthesis. It supplies the para-isobutoxybenzyl group and provides access to a primary amine for urea-bond construction. The acetate counterion distinguishes the isolated intermediate from both the free amine and its hydrochloride.

The ether-linked isobutyl group is already present, so downstream chemistry can focus on connecting the benzylamine nitrogen to the complementary fragment. Liberation or activation of the amine leads to carbamoyl intermediates used in unsymmetrical urea synthesis. The salt form belongs to intermediate isolation and feedstock preparation; it is not the final pimavanserin salt and does not carry the pharmacological role of the completed molecule.

Typical Applications

  • Pimavanserin urea-fragment synthesis: Used as a salt-form source of 4-isobutoxybenzylamine in sequences that construct the unsymmetrical urea linkage of pimavanserin.
  • Benzylamine intermediate isolation: Used as the acetate-stage material in process routes that recover and handle the benzylamine fragment before conversion into the free or activated amine required for coupling.

Specifications

Parameter Specification Test Method
Appearance Solid; color consistent with the reference sample Visual inspection
Identification Consistent with authenticated reference FTIR fingerprint comparison
Chromatographic purity ≥98.0 area% HPLC with suitable UV or CAD detection
Total organic impurities ≤2.0 area% HPLC, area normalization
Largest individual impurity ≤1.0 area% HPLC, area normalization
Water ≤1.0% w/w Karl Fischer titration

Specifications describe the standard grade. Tolerance, test method and documentation package are confirmed per order.

Documents & Handling

Packaging

Aluminum foil laminate bag / Fiber drum with PE liner

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CoA

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TDS

Technical Data Sheet

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SDS

Safety Data Sheet

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