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CAS 591-20-8
3-bromophenol
Codes: ELBA-001, Inavolisib-001
Application context (from source-drug indications)
Hepatitis CElbasvirChronic hepatitis CElbasvirHepatic function declineElbasvirRenal impairmentElbasvirViral hepatitisElbasvirBreast cancerInavolisibMetastatic breast cancerInavolisib胰腺导管癌InavolisibType 2 diabetesInavolisibEndometrial cancerInavolisibEpithelial ovarian cancerInavolisib
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| Elbasvir | Tier C — Watch / trade | - |
| Inavolisib | 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.
3-bromophenol→3-bromophenyl acetate→1-(4-bromo-2-hydroxyphenyl)ethan-1-one→(4-bromophenyl)hydrazine→(E)-5-bromo-2-(1-(2-(4-bromophenyl)hydrazineylidene)ethyl)phenol→5-bromo-2-(5-bromo-1H-indol-2-yl)phenol→(dibromomethyl)benzene→3,10-dibromo-6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole→4,4,4',4',5,5,5',5'-octamethyl-2,2'-bi(1,3,2-dioxaborolane)→6-phenyl-3,10-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-benzo[5,6][1,3]oxazino[3,4-a]indole→tert-butyl (S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate→di-tert-butyl 2,2'-((6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole-3,10-diyl)bis(1H-imidazole-4,2-diyl))(2S,2'S)-bis(pyrrolidine-1-carboxylate)→(S)-6-phenyl-3,10-bis(2-((S)-pyrrolidin-2-yl)-1H-imidazol-4-yl)-6H-benzo[5,6][1,3]oxazino[3,4-a]indole→(methoxycarbonyl)-D-valine
3-bromophenol→tert-butyl (S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate→(S)-6-phenyl-3,10-bis(2-((S)-pyrrolidin-2-yl)-1H-imidazol-4-yl)-6H-benzo[5,6][1,3]oxazino[3,4-a]indole→(methoxycarbonyl)-D-valine→2-(2,5-dibromophenyl)acetic acid→3-bromophenyl 2-(2,5-dibromophenyl)acetate→1-(4-bromo-2-hydroxyphenyl)-2-(2,5-dibromophenyl)ethan-1-one→5-bromo-2-(2-(2,5-dibromophenyl)-1-iminoethyl)phenol→((N-((1S,2S)-1,2-diphenyl-2-((3-phenylpropyl)amino)ethyl)-4-methylphenyl)sulfonamido)ruthenium(II) chloride→(R)-2-(1-amino-2-(2,5-dibromophenyl)ethyl)-5-bromophenol→(R)-5-bromo-2-(5-bromoindolin-2-yl)phenol→(6S,12aR)-3,10-dibromo-6-phenyl-12,12a-dihydro-6H-benzo[5,6][1,3]oxazino[3,4-a]indole→(S)-3,10-dibromo-6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole→di-tert-butyl 2,2'-(((S)-6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole-3,10-diyl)bis(1H-imidazole-4,2-diyl))(2S,2'S)-bis(pyrrolidine-1-carboxylate)
3-bromophenol→4-bromo-2-hydroxybenzaldehyde→5-bromo-2-(1H-imidazol-2-yl)phenol→9-bromo-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine→9-bromo-2,3-diiodo-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine→9-bromo-2-iodo-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine→(1S,2S)-1,2-bis((R)-2,2-dimethyl-1,3-dioxolan-4-yl)ethane-1,2-diol→(R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde→(R)-4-(difluoromethyl)-2,2-dimethyl-1,3-dioxolane→tert-butylchlorodimethylsilane→(R)-3-((tert-butyldimethylsilyl)oxy)-1,1-difluoropropan-2-ol→(S)-(2-azido-3,3-difluoropropoxy)(tert-butyl)dimethylsilane→(S)-3-((tert-butyldimethylsilyl)oxy)-1,1-difluoropropan-2-amine→(S)-4-(difluoromethyl)oxazolidin-2-one→(1R,2R)-N1,N2-dimethylcyclohexane-1,2-diamine→(S)-3-(9-bromo-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-2-yl)-4-(difluoromethyl)oxazolidin-2-one→L-alanine
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