methyl acrylate (96-33-3) intermediate

Application context (from source-drug indications)

Multiple myelomaPanobinostat LactateGliomaPanobinostat LactateDiffuse intrinsic pontine gliomaPanobinostat LactateDiffuse midline gliomaPanobinostat LactateMyelodysplastic syndromePanobinostat LactateAcute myeloid leukaemiaPanobinostat LactateOsteoporosisIbandronate 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
Panobinostat Lactate	Tier C — Watch / trade	-
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.

Panobinostat LactateOptimised routesteps: 5total yield: /

2-(2-methyl-1H-indol-3-yl)ethan-1-amine→methyl (E)-3-(4-formylphenyl)acrylate→4-bromobenzaldehyde→methyl acrylate→methyl (E)-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino)methyl)phenyl)acrylate hydrochloride→2-hydroxypropanoic acid→phenylhydrazine→5-chloropentan-2-one

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 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

Intermediates available on this site

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