methyl 3-[methyl(pentyl)amino]propanoate (744266-99-7) intermediate

Application context (from source-drug indications)

OsteoporosisIbandronate Sodium Hydrate/ColecalciferolOsteoporosisIbandronate Sodium HydratePostmenopausal osteoporosisIbandronate Sodium HydrateHypercalcaemiaIbandronate Sodium HydrateBone injuryIbandronate Sodium HydrateBreast cancerIbandronate Sodium HydrateMetastatic cancerIbandronate Sodium Hydrate

Source drugs (routes using this intermediate)

Drug	Tier	Expiry
Ibandronate Sodium Hydrate/Colecalciferol	Tier C — Watch / trade	-
Ibandronate Sodium Hydrate	Tier 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.

Ibandronate Sodium Hydrate/ColecalciferolOriginator routesteps: 7total yield: /

pentan-1-amine→benzaldehyde→3-(methyl(pentyl)amino)propanoic acid hydrochloride→(E)-N-benzylidenepentan-1-amine→N-benzyl-N-methylpentan-1-amine→N-methylpentan-1-amine→methyl acrylate→ methyl 3-[methyl(pentyl)amino]propanoate →3-(methyl(pentyl)amino)propanoic acid

Ibandronate Sodium Hydrate/ColecalciferolOptimised routesteps: 4total yield: 315.60 g

3-(methyl(pentyl)amino)propanoic acid hydrochloride→N-methylpentan-1-amine→methyl acrylate→ methyl 3-[methyl(pentyl)amino]propanoate →3-[methyl(pentyl)amino]propanoic acid;hydrochloride →diethyl carbonate

Ibandronate Sodium Hydrate/ColecalciferolOptimised routesteps: 5total yield: 53.33 g

N-benzyl-N-methylpentan-1-amine→N-methylpentan-1-amine→ methyl 3-[methyl(pentyl)amino]propanoate →3-[methyl(pentyl)amino]propanoic acid;hydrochloride →N-methyl-1-phenylmethanamine→1-bromopentane→methyl 3-bromopropanoate

Ibandronate Sodium HydrateOriginator routesteps: 7total yield: /

pentan-1-amine→benzaldehyde→3-(methyl(pentyl)amino)propanoic acid hydrochloride→(E)-N-benzylidenepentan-1-amine→N-benzyl-N-methylpentan-1-amine→N-methylpentan-1-amine→methyl acrylate→ methyl 3-[methyl(pentyl)amino]propanoate →3-(methyl(pentyl)amino)propanoic acid

Ibandronate Sodium HydrateOptimised routesteps: 4total yield: 315.60 g

3-(methyl(pentyl)amino)propanoic acid hydrochloride→N-methylpentan-1-amine→methyl acrylate→ methyl 3-[methyl(pentyl)amino]propanoate →3-[methyl(pentyl)amino]propanoic acid;hydrochloride →diethyl carbonate

Ibandronate Sodium HydrateOptimised routesteps: 5total yield: 53.33 g

N-benzyl-N-methylpentan-1-amine→N-methylpentan-1-amine→ methyl 3-[methyl(pentyl)amino]propanoate →3-[methyl(pentyl)amino]propanoic acid;hydrochloride →N-methyl-1-phenylmethanamine→1-bromopentane→methyl 3-bromopropanoate

Intermediates available on this site

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