4-Isobutoxybenzylamine

CAS No.

4734-09-2

Synonyms

[4-(2-Methylpropoxy)phenyl]methanamine; also listed as 4-(2-Methylpropoxy)-benzenemethanamine

Molecular formula

C11H17NO

Molecular weight

179.26 g/mol

Grade

Reagent grade

Packaging

Amber glass bottle / HDPE drum

Chemical Product Description & Applications

4-Isobutoxybenzylamine is a primary amine building block used to introduce a para-isobutoxybenzyl fragment into pharmaceutical intermediates. Its amino group forms urea and amide bonds, while the aromatic ether portion transfers the required lipophilic substituent. In pimavanserin routes, the amine-derived fragment becomes one side of the unsymmetrical urea structure.

The selected material is the free amine rather than the acetate or hydrochloride. That form provides the nucleophilic nitrogen directly for carbonyl activation and coupling chemistry. The isobutoxy group is already installed on the aromatic ring, separating ether construction from later urea formation. This makes the compound a defined fragment feedstock rather than a general benzylamine substitute with interchangeable ring substitution.

Typical Applications

  • Pimavanserin urea assembly: Used in routes that activate the benzylamine as a carbamoyl intermediate and combine it with the complementary substituted piperidinylamine to form the target unsymmetrical urea.
  • Isobutoxybenzyl amide derivatives: Used as the amine component in acylation chemistry, introducing the same substituted aromatic ether fragment into amide-containing synthetic intermediates.

Specifications

Parameter Specification Test Method
Appearance Clear liquid; color consistent with the reference sample Visual inspection
Identification Consistent with authenticated reference FTIR fingerprint comparison
Chromatographic purity ≥99.0 area% GC-FID
Total organic impurities ≤1.0 area% GC-FID, area normalization
Water ≤0.20% w/w Karl Fischer titration
Nonvolatile residue ≤0.10% w/w Gravimetric evaporation residue

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

Documents & Handling

Packaging

Amber glass bottle / HDPE drum

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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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