CAS 5292-43-3

1,1-Dimethylethyl monobromoacetatetert-butyl 2-bromoacetate

Codes: (II)122568-5-a, VILD-012, FLUTI-011, MITI-017, FIRT-009

Application context (from source-drug indications)

Attention deficit hyperactivity disorderClonidine Hydrochloride (Tris Pharma)HypertensionClonidine Hydrochloride (Tris Pharma)Type 2 diabetesVildagliptinSchizophreniaVildagliptinDyslipidaemiaVildagliptinInsulin resistanceVildagliptinType 1 diabetesVildagliptinDiabetesVildagliptinAsthmaFluticasone Propionate/Formoterol Fumarate HydrateChronic obstructive pulmonary diseaseFluticasone Propionate/Formoterol Fumarate HydrateNasal congestionFluticasone PropionateAllergic rhinitisFluticasone Propionate鼻息肉Fluticasone PropionateRhinitisFluticasone Propionate扁平苔藓Fluticasone PropionateRashFluticasone PropionateType 2 diabetesMitiglinideDiabetesMitiglinideColorectal cancerFirtecan pegolBreast cancerFirtecan pegolSolid tumourFirtecan pegolMetastatic breast cancerFirtecan pegolLymphomaFirtecan pegol

Source drugs (routes using this intermediate)

Drug	Tier	Expiry
Clonidine Hydrochloride (Tris Pharma)	Tier C — Watch / trade	-
Vildagliptin	Tier B — Position early	-
Fluticasone Propionate/Formoterol Fumarate Hydrate	Tier C — Watch / trade	-
Fluticasone Propionate	Tier B — Position early	-
Mitiglinide	Tier C — Watch / trade	-
Firtecan pegol	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.

Clonidine Hydrochloride (Tris Pharma)Optimised routesteps: 3total yield: /

2-Mercaptoimidazoline→1,1-Dimethylethyl monobromoacetate→tert-Butyl [(4,5-dihydro-1H-imidazol-2-yl)sulfanyl]acetate hydrogen bromide→Methyl 2-[(2-tert-butoxy-2-oxoethyl)sulfanyl]-4,5-dihydro-1H-imidazole-1-carboxylate→2,6-Dichloroaniline

VildagliptinOptimised routesteps: 6total yield: /

(S)-pyrrolidine-2-carboxamide→(1s,3r,5R,7S)-3-aminoadamantan-1-ol→(3s,5s,7s)-adamantan-1-amine hydrochloride→tert-butyl 2-bromoacetate→tert-butyl ((1r,3s,5R,7S)-3-hydroxyadamantan-1-yl)glycinate→((1r,3s,5R,7S)-3-hydroxyadamantan-1-yl)glycine→(S)-pyrrolidine-2-carbonitrile→methyl L-prolinate hydrochloride

VildagliptinOptimised routesteps: 7total yield: /

(S)-pyrrolidine-2-carboxamide→(3s,5s,7s)-adamantan-1-amine hydrochloride→tert-butyl 2-bromoacetate→((1r,3s,5R,7S)-3-hydroxyadamantan-1-yl)glycine→(S)-pyrrolidine-2-carbonitrile→methyl L-prolinate hydrochloride→tert-butyl ((3s,5s,7s)-adamantan-1-yl)glycinate→((3s,5s,7s)-adamantan-1-yl)glycine→tert-butyl (S)-2-carbamoylpyrrolidine-1-carboxylate

Fluticasone Propionate/Formoterol Fumarate HydrateOptimised routesteps: 5total yield: 0.041 g (Fluticasone propionate)

(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(propionyloxy)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carbothioic S-acid→tert-butyl 2-bromoacetate→(6S,9R,10S,11S,13S,16R,17R)-17-(((2-(tert-butoxy)-2-oxoethyl)thio)carbonyl)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl propionate→(6S,9R,10S,11S,13S,16R,17R)-17-(((2-(tert-butoxy)-2-oxoethyl)thio)carbonyl)-6,9-difluoro-10,13,16-trimethyl-3-oxo-11-(2,2,2-trifluoroacetoxy)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl propionate→2-(((6S,9R,10S,11S,13S,16R,17R)-6,9-difluoro-10,13,16-trimethyl-3-oxo-17-(propionyloxy)-11-(2,2,2-trifluoroacetoxy)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carbonyl)thio)acetic acid→(6S,9R,10S,11S,13S,16R,17R)-6,9-difluoro-17-(((fluoromethyl)thio)carbonyl)-10,13,16-trimethyl-3-oxo-11-(2,2,2-trifluoroacetoxy)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl propionate

Fluticasone PropionateOptimised routesteps: 5total yield: 0.041 g (Fluticasone propionate)

Intermediates available on this site

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