CAS 78-77-3

1-bromo-2-methylpropane

Codes: PIMAV-002, FEBU-006

Application context (from source-drug indications)

DelusionPimavanserin TartrateHallucinationPimavanserin TartrateHyperuricaemiaFebuxostatGoutFebuxostatIntracranial haemorrhageFebuxostatUlcerative colitisFebuxostatChronic renal impairmentFebuxostatPainFebuxostat

Source drugs (routes using this intermediate)

Drug	Tier	Expiry
Pimavanserin Tartrate	Tier C — Watch / trade	2029
Febuxostat	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.

Pimavanserin TartrateOriginator routesteps: 6total yield: 8.3 kg

4-hydroxybenzaldehyde→1-bromo-2-methylpropane→4-isobutoxybenzaldehyde→(E)-4-isobutoxybenzaldehyde oxime→(4-isobutoxyphenyl)methanamine→1-isobutoxy-4-(isocyanatomethyl)benzene→N-(4-fluorobenzyl)-1-methylpiperidin-4-amine→1-methylpiperidin-4-one→(4-fluorophenyl)methanamine→sodium triacetoxyhydroborate

Pimavanserin TartrateOptimised routesteps: 4total yield: /

1-bromo-2-methylpropane→(4-isobutoxyphenyl)methanamine→1-isobutoxy-4-(isocyanatomethyl)benzene→4-hydroxybenzonitrile→tert-butyl 4-((4-fluorobenzyl)amino)piperidine-1-carboxylate→tert-butyl 4-aminopiperidine-1-carboxylate→4-fluorobenzaldehyde

FebuxostatOriginator routesteps: 6total yield: 295 mg

4-hydroxy-3-nitrobenzaldehyde→4-hydroxy-3-nitrobenzonitrile→4-hydroxy-3-nitrobenzothioamide→ethyl 2-chloro-3-oxobutanoate→ethyl 2-(4-hydroxy-3-nitrophenyl)-4-methylthiazole-5-carboxylate→1-bromo-2-methylpropane→ethyl 2-(4-isobutoxy-3-nitrophenyl)-4-methylthiazole-5-carboxylate→ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate

FebuxostatOptimised routesteps: 7total yield: 1.3 g

ethyl 2-chloro-3-oxobutanoate→1-bromo-2-methylpropane→ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate→5-bromo-2-hydroxybenzaldehyde→5-bromo-2-isobutoxybenzaldehyde→5-bromo-2-isobutoxybenzonitrile→(3-cyano-4-isobutoxyphenyl)boronic acid→ethyl 2-bromo-4-methylthiazole-5-carboxylate→thiourea→ethyl 2-amino-4-methylthiazole-5-carboxylate

FebuxostatOptimised routesteps: 8total yield: /

ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate→4-hydroxybenzaldehyde→4-isobutoxybenzaldehyde→3-bromo-4-isobutoxybenzaldehyde→(E)-3-bromo-4-isobutoxybenzaldehyde oxime→3-bromo-4-isobutoxybenzonitrile→3-bromo-4-isobutoxybenzothioamide→ethyl 2-(3-bromo-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate→ethyl 2-chloro-3-oxobutanoate→1-bromo-2-methylpropane

FebuxostatOptimised routesteps: 5total yield: 1.29 g

ethyl 2-chloro-3-oxobutanoate→1-bromo-2-methylpropane→ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate→2,4-dibromophenol→2,4-dibromo-1-isobutoxybenzene→4-isobutoxyisophthalonitrile→3-cyano-4-isobutoxybenzothioamide

Intermediates available on this site

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Supplier	Product	Price band	MOQ	Lead time	Qualifications	Action
Qualified Partner — East China API Works	Ethyl 2-(3-Formyl-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate Pharmaceutical Intermediates	On request	On request	On request	—
Unibest Nantong cGMP Site	Ethyl 2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylate Pharmaceutical Intermediates	On request	On request	On request	—

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