N-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]amine; 4-chloro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-amine -Drug Synthesis Database

【结构式】

【分子编号】53553

【品名】N-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]amine; 4-chloro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-amine

【CA登记号】n/a

【分子式】C₁₉H₁₄ClN₅O₂

【分子量】379.80536

【元素组成】C 60.09% H 3.72% Cl 9.33% N 18.44% O 8.43%

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：(IX)

Addition of phenylmagnesium bromide (VII) to cyanuric chloride (VI) provided 2,4-dichloro-6-phenyltriazine (VIII). This was subsequently condensed with aniline (V) to afford the aminotriazine (IX). Finally, displacement of the remaining chlorine of (IX) with 2-(3-pyridyl)ethylamine (X) furnished the target diaminotriazine derivative.

参考文献中间体

合成目标

【1】 Murali Dhar, T.G.; Pitts, W.J.; Guo, J.; et al.; Rapid synthesis of novel inosine monophosphate dehydrogenase (IMPDH) inhibitors. 223rd ACS Natl Meet (April 7 2002, Orlando) 2002, Abst MEDI 214.
【2】 Liu, C.; Leftheris, K.; Pitts, W.J.; Iwanowicz, E.J.; Dhar, T.G.M.; Gu, H.H. (Bristol-Myers Squibb Co.); Cpds. derived from an amine nucleus that are inhibitors of IMPDH enzyme. EP 1126843; US 6399773; WO 0025780 .

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(V)	39658			C₁₀H₁₀N₂O₂	详情	详情
(VI)	23813	2,4,6-Trichloro-s-triazine; Cyanuric chloride; Trichlorocyanidine; Tricyanogen chloride; 2,4,6-Trichloro-1,3,5-triazine	108-77-0	C₃Cl₃N₃	详情	详情
(VII)	17616	bromo(phenyl)magnesium; Phenyl Magnesium Bromide	100-58-3	C₆H₅BrMg	详情	详情
(VIII)	53552	4,6-Dichloro-2-phenyltriazine	1700-02-3	C₉H₅Cl₂N₃	详情	详情
(IX)	53553	N-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]amine; 4-chloro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-amine	n/a	C₁₉H₁₄ClN₅O₂	详情	详情
(X)	53554	2-(3-Pyridyl)ethylamine; 3-(2-Aminoethyl)pyridine	20173-24-4	C₇H₁₀N₂	详情	详情

Extended Information