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CAS 71597-85-8
(4-Hydroxyphenyl)boronic acid
Codes: (VII)461018-28-a, (VII)91299-1-b
Application context (from source-drug indications)
Waldenström macroglobulinaemiaIbrutinibChronic lymphocytic leukaemiaIbrutinibMantle cell lymphomaIbrutinibGraft-versus-host diseaseIbrutinibPlasmodium infectionArtesunate/Pyronaridine PhosphateCOVID-19Artesunate/Pyronaridine PhosphateFalciparum malariaArtesunate/Pyronaridine PhosphatePlasmodium infectionArtesunate/Mefloquine HydrochlorideFalciparum malariaArtesunate/Mefloquine HydrochloridePlasmodium infectionArtesunateIntestinal neoplasmArtesunateColon cancerArtesunateCervical intraepithelial neoplasiaArtesunateHIV infectionArtesunateCervical cancerArtesunate
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| Ibrutinib | Tier A — Act now | 2027 |
| Artesunate/Pyronaridine Phosphate | Tier C — Watch / trade | - |
| Artesunate/Mefloquine Hydrochloride | Tier C — Watch / trade | - |
| Artesunate | 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.
tert-Butyl (3R)-3-(4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate→1-Benzyloxy-4-boronic acid→tert-Butyl (3R)-3-[4-amino-3-[4-(benzyloxy)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate→tert-Butyl (3R)-3-[3-[4-(benzyloxy)phenyl]-4-[bis(tert-butoxycarbonyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate→([13C]-1,2,3,4,5,6)Phenylboronic acid→tert-Butyl (3R)-3-[4-[bis(tert-butoxycarbonyl)amino]-3-(4-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate→tert-Butyl (3R)-3-[4-[bis(tert-butoxycarbonyl)amino]-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate→(4-Hydroxyphenyl)boronic acid→1-Bromo(13C6)benzene→tert-Butyl (3R)-3-(4-[bis(tert-butoxycarbonyl)amino]-3-[4-[([13C]-1,2,3,4,5,6)phenyloxy]phenyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate→3-[4-[([13C]-1,2,3,4,5,6)Phenyloxy]phenyl]-1-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine→2-Propenoyl chloride→1-[(3R)-3-(4-Amino-3-[4-[([13C]-1,2,3,4,5,6)phenyloxy]phenyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one
1,4-Bis(trifluoromethyl)benzene→1,4-Dibromo-2,5-bis(trifluoromethyl)benzene→(4-Hydroxyphenyl)boronic acid→2(2),2(5)-Bis(trifluoromethyl)[1(1),2(1):2(4),3(1)-terphenyl]-1(4),3(4)-diol→1(3),1(5),3(3),3(5)-Tetrabromo-2(2),2(5)-bis(trifluoromethyl)[1(1),2(1):2(4),3(1)-terphenyl]-1(4),3(4)-diol→1(3),1(5),3(3),3(5)-Tetrabromo-1(4),3(4)-dimethoxy-2(2),2(5)-bis(trifluoromethyl)-1(1),2(1):2(4),3(1)-terphenyl→4-(Ethoxycarbonyl)phenylboronic acid→Ethyl 4-[5-[4-[3,5-bis(4-ethoxycarbonylphenyl)-4-methoxy-phenyl]-2,5-bis(trifluoromethyl)phenyl]-3-(4-ethoxycarbonylphenyl)-2-methoxy-phenyl]benzoate→4-[5-[4-[3,5-Bis(4-carboxyphenyl)-4-methoxy-phenyl]-2,5-bis(trifluoromethyl)phenyl]-3-(4-carboxyphenyl)-2-methoxy-phenyl]benzoic acid
1,4-Bis(trifluoromethyl)benzene→1,4-Dibromo-2,5-bis(trifluoromethyl)benzene→(4-Hydroxyphenyl)boronic acid→2(2),2(5)-Bis(trifluoromethyl)[1(1),2(1):2(4),3(1)-terphenyl]-1(4),3(4)-diol→1(3),1(5),3(3),3(5)-Tetrabromo-2(2),2(5)-bis(trifluoromethyl)[1(1),2(1):2(4),3(1)-terphenyl]-1(4),3(4)-diol→1(3),1(5),3(3),3(5)-Tetrabromo-1(4),3(4)-dimethoxy-2(2),2(5)-bis(trifluoromethyl)-1(1),2(1):2(4),3(1)-terphenyl→4-(Ethoxycarbonyl)phenylboronic acid→Ethyl 4-[5-[4-[3,5-bis(4-ethoxycarbonylphenyl)-4-methoxy-phenyl]-2,5-bis(trifluoromethyl)phenyl]-3-(4-ethoxycarbonylphenyl)-2-methoxy-phenyl]benzoate→4-[5-[4-[3,5-Bis(4-carboxyphenyl)-4-methoxy-phenyl]-2,5-bis(trifluoromethyl)phenyl]-3-(4-carboxyphenyl)-2-methoxy-phenyl]benzoic acid
1,4-Bis(trifluoromethyl)benzene→1,4-Dibromo-2,5-bis(trifluoromethyl)benzene→(4-Hydroxyphenyl)boronic acid→2(2),2(5)-Bis(trifluoromethyl)[1(1),2(1):2(4),3(1)-terphenyl]-1(4),3(4)-diol→1(3),1(5),3(3),3(5)-Tetrabromo-2(2),2(5)-bis(trifluoromethyl)[1(1),2(1):2(4),3(1)-terphenyl]-1(4),3(4)-diol→1(3),1(5),3(3),3(5)-Tetrabromo-1(4),3(4)-dimethoxy-2(2),2(5)-bis(trifluoromethyl)-1(1),2(1):2(4),3(1)-terphenyl→4-(Ethoxycarbonyl)phenylboronic acid→Ethyl 4-[5-[4-[3,5-bis(4-ethoxycarbonylphenyl)-4-methoxy-phenyl]-2,5-bis(trifluoromethyl)phenyl]-3-(4-ethoxycarbonylphenyl)-2-methoxy-phenyl]benzoate→4-[5-[4-[3,5-Bis(4-carboxyphenyl)-4-methoxy-phenyl]-2,5-bis(trifluoromethyl)phenyl]-3-(4-carboxyphenyl)-2-methoxy-phenyl]benzoic acid
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