bis(1,1-dimethylethyl) hydrogen phosphate -Drug Synthesis Database

【结构式】

【分子编号】60215

【品名】bis(1,1-dimethylethyl) hydrogen phosphate

【CA登记号】

【分子式】C₈H₁₉O₄P

【分子量】210.210222

【元素组成】C 45.71% H 9.11% O 30.44% P 14.73%

与该中间体有关的原料药合成路线共 1 条

合成路线1

该中间体在本合成路线中的序号：(V)

The condensation of BMS-207147 (I) with 3-(chloromethyl)benzoic acid chloromethyl ester (II) (obtained by esterification of 3-(chloromethyl)benzoyl chloride (III) with paraformaldehyde and ZnCl2) by means of KH in THF gives the adduct (IV), which is condensed with phosphoric acid di-tert-butyl ester (V) to yield the phosphate (V). Finally, this compound is hydrolyzed with TFA in dichloromethane and treated with NaHCO3 to provide the target sodium salt.

参考文献中间体

合成目标

【1】 Hudyma, T.W.; Zheng, X.; Clark, J.; et al.; BMS-292655, a soluble prodrug of the clinically efficacious antifungal triazole, BMS-207147 (ravuconazole). 42nd Intersci Conf Antimicrob Agents Chemother (Sept 27 2002, San Diego) 2002, Abst F-816.
【2】 Hudyma, T.W.; Kim, O.K.; Zheng, X. (Bristol-Myers Squibb Co.); Water soluble prodrugs of azole cpds.. WO 0030655 .

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(I)	60212	4-{2-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-1,3-thiazol-4-yl}benzonitrile		C₂₂H₁₇F₂N₅OS	详情	详情
(II)	60213	chloromethyl 3-(chloromethyl)benzoate		C₉H₈Cl₂O₂	详情	详情
(III)	25107	3-(chloromethyl)benzoyl chloride	63024-77-1	C₈H₆Cl₂O	详情	详情
(IV)	20214	ethyl (3S)-3-benzyl-2-oxo-3-piperidinecarboxylate		C₁₅H₁₉NO₃	详情	详情
(V)	60215	bis(1,1-dimethylethyl) hydrogen phosphate		C₈H₁₉O₄P	详情	详情
(VI)	60216	{[2-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-1-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-ylmethyl)propyl]oxy}methyl 3-[({bis[(1,1-dimethylethyl)oxy]phosphoryl}oxy)methyl]benzoate		C₃₉H₄₂F₂N₅O₇PS	详情	详情

Extended Information