CAS 590-86-3

3-Methylbutanal3-methylbutanal

Codes: (Ia)409139-5-a, PREG-011

Application context (from source-drug indications)

Transthyretin amyloidosisTafamidisHeart diseaseTafamidisFibromyalgiaPregabalinSeizurePregabalinPostherpetic neuralgiaPregabalin神经痛PregabalinPartial-onset seizurePregabalinDiabetic neuropathyPregabalin

Source drugs (routes using this intermediate)

Drug	Tier	Expiry
Tafamidis	Tier C — Watch / trade	-
Pregabalin	Tier B — Position early	-

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.

TafamidisOptimised routesteps: 3total yield: /

3-Methylbutanal→3,3-Dimethylbutanal→2-(Hydroxymethyl)-2-(propan-2-yl)propane-1,3-diol→2-tert-Butyl-2-(hydroxymethyl)propane-1,3-diol→3,5-Dichlorobenzoic acid→1-(3,5-Dichlorophenyl)-4-(propan-2-yl)-2,6,7-trioxabicyclo[2.2.2]octane→4-tert-Butyl-1-(3,5-dichlorophenyl)-2,6,7-trioxabicyclo[2.2.2]octane→(4-Carboxy-2-hydroxyphenyl)amine→2-(3,5-Dichlorophenyl)benzo[d]oxazole-6-carboxylic acid

PregabalinProcess routesteps: 5total yield: 7.4 kg

3-methylbutanal→diethyl malonate→diethyl 2-(3-methylbutylidene)malonate→diethyl 2-(1-cyano-3-methylbutyl)malonate→3-(aminomethyl)-5-methylhexanoic acid→(S)-2-(carboxymethyl)-4-methylpentan-1-aminium (S)-2-hydroxy-2-phenylacetate

PregabalinOptimised routesteps: 5total yield: 12 g

3-methylbutanal→3-(aminomethyl)-5-methylhexanoic acid→ethyl 2-cyanoacetate→diethyl 3-isobutylpentanedioate→3-isobutylpentanedioic acid→4-isobutylpiperidine-2,6-dione

Intermediates available on this site

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