3-methyl-5,7,8,9-tetrahydro-6H-benzo[a]cyclohepten-6-one -Drug Synthesis Database

【结构式】

【分子编号】60801

【品名】3-methyl-5,7,8,9-tetrahydro-6H-benzo[a]cyclohepten-6-one

【CA登记号】

【分子式】C₁₂H₁₄O

【分子量】174.24256

【元素组成】C 82.72% H 8.1% O 9.18%

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：(I)

Nitrosation of the benzocycloheptanone (I) with isoamyl nitrite furnishes the keto oxime (II). Subsequent ring closure of (II) with pyridine-3-carboxaldehyde (III) and ammonium acetate produces the N-hydroxy imidazole derivative (IV). Then, reduction of the N-hydroxy group of (IV) is performed by treatment PCl3 in DMF

参考文献中间体

合成目标

【1】 Satoh, Y.; Hatori, C.; Ito, H.; Novel potent antagonists of human neuropeptide Y-Y5 receptor. Part 4: Tetrahydrodiazabenzazulene derivatives. Bioorg Med Chem Lett 2002, 12, 7, 1009.

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)	60801	3-methyl-5,7,8,9-tetrahydro-6H-benzo[a]cyclohepten-6-one		C₁₂H₁₄O	详情	详情
(II)	60802	3-methyl-8,9-dihydro-5H-benzo[a]cycloheptene-5,6(7H)-dione 5-oxime		C₁₂H₁₃NO₂	详情	详情
(III)	12849	Nicotinaldehyde; 3-Pyridinecarboxaldehyde	500-22-1	C₆H₅NO	详情	详情
(IV)	60803	9-methyl-2-(3-pyridinyl)-5,6-dihydrobenzo[3,4]cyclohepta[1,2-d]imidazol-1(4H)-ol		C₁₈H₁₇N₃O	详情	详情

Extended Information