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CAS 51067-38-0
tert-butyl 4-(((6-amino-5-chloropyrimidin-4-yl)amino)methyl)piperidine-1-carboxylate(4-Phenoxyphenyl)boranediol
Codes：IBRT-011、(II)461018-2-a、(XII)461018-8-a、(VII)461018-11-a、(IIb)461018-14-a、(IX)461018-21-a、(IX)461018-27-a
Application context (from source-drug indications)
华氏巨球蛋白血症伊布替尼慢性淋巴细胞白血病伊布替尼套细胞淋巴瘤伊布替尼移植物抗宿主病伊布替尼
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| 伊布替尼Ibrutinib | Tier A — Act now | 2027 |
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.
4-phenoxybenzoic acid→2-(hydroxy(4-phenoxyphenyl)methylene)malononitrile→2-(methoxy(4-phenoxyphenyl)methylene)malononitrile→5-amino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile→3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine→(S)-tert-butyl 3-hydroxypiperidine-1-carboxylate→(R)-tert-butyl 3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate→acryloyl chloride→1H-pyrazolo[3,4-d]pyrimidin-4-amine→3-iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine→tert-butyl 4-(((6-amino-5-chloropyrimidin-4-yl)amino)methyl)piperidine-1-carboxylate
3-Bromo-1H-pyrazolo[3,4-d]pyrimidin-4-amine→(4-Phenoxyphenyl)boranediol→3-(4-Phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine→N-Boc-3(S)-Hydroxypiperidine→2-Propenoyl chloride→(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinecarboxylic acid 1,1-dimethylethyl ester→Perfluoroacetyl chloride→tert-Butyl (3R)-3-[3-(4-phenoxyphenyl)-4-[(trifluoroacetyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate→2,2,2-Trifluoro-N-[3-(4-phenoxyphenyl)-1-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]acetamide→N-[1-[(3R)-1-Acryloylpiperidin-3-yl]-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-2,2,2-trifluoroacetamide
3-Amino-1H-pyrazole-4-carbonitrile→Amide c1→1H-Pyrazolo[3,4-d]pyrimidin-4-amine→3-Iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine→3-Bromo-1H-pyrazolo[3,4-d]pyrimidin-4-amine→2-Propenoyl chloride→(3S)-1-(tert-Butoxycarbonyl)-3-hydroxypiperidine→(S)-1-(tert-Butoxycarbonyl)piperidin-3-yl methanesulfonate→tert-Butyl (3R)-3-(4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate→tert-Butyl (3R)-3-(4-amino-3-bromo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate→3-Iodo-1-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine hydrogen chloride→3-Bromo-1-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine→3-Iodo-1-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine--hydrogen chloride (1→3-Iodo-1-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine→2-Propenoic acid→1-[(3R)-3-(4-Amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one→1-[(3R)-3-(4-Amino-3-bromo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one→(4-Phenoxyphenyl)boranediol→(Chloromethyl)acetyl chloride→3-Bromopropanoyl bromide→1-[(3R)-3-(4-Amino-3-bromo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-3-chloropropan-1-one→1-[(3R)-3-(4-Amino-3-bromo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-3-bromopropan-1-one
1H-Pyrazolo[3,4-d]pyrimidin-4-amine→3-Bromo-1H-pyrazolo[3,4-d]pyrimidin-4-amine→(3S)-1-(tert-Butoxycarbonyl)-3-hydroxypiperidine→(S)-1-(tert-Butoxycarbonyl)piperidin-3-yl methanesulfonate→tert-Butyl (3R)-3-(4-amino-3-bromo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate→tert-Butyl (3R)-3-(4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate→3-Iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine→3-Bromo-1-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine hydrogen chloride (1/2)→3-Iodo-1-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine--hydrogen chloride (1/2)→3-(4-Phenoxyphenyl)-1-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine hydrogen chloride→(4-Phenoxyphenyl)boranediol→(R)-3-(4-phenoxyphenyl)-1-(piperidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine→2-Propenoyl chloride
(3S)-1-(tert-Butoxycarbonyl)-3-hydroxypiperidine→(3S)-1-(3,3-Dimethylbutanoyl)piperidin-3-yl 4-methylbenzene-1-sulfonate→(3S)-Piperidin-3-yl 4-methylbenzenesulfonate→2-Propenoyl chloride→(4-Phenoxyphenyl)boranediol→(3S)-1-Acryloylpiperidin-3-yl 4-methylbenzenesulfonate→3-(4-Phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine→1H-Pyrazolo[3,4-d]pyrimidin-4-amine→3-Iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine
1,1-Dicyanomethane→(Diethoxymethoxy)ethane→(Ethoxymethylene)malononitrile→N-Boc-3(R)-hydrazinylpiperidine→(4-Phenoxyphenyl)boranediol→tert-Butyl (3R)-3-(5-amino-4-cyano-1H-pyrazol-1-yl)piperidine-1-carboxylate→Amide c1→tert-Butyl (3R)-3-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate→tert-Butyl (3R)-3-(4-amino-3-bromo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate→(R)-3-(4-phenoxyphenyl)-1-(piperidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine→1-(1H-Imidazol-1-yl)prop-2-en-1-one→5-Chloro-1-[(prop-2-enoyl)oxy]-1H-benzotriazole
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