54080-21-6

• 常用中文名：8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
• 常用英文名：8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
• CAS号：54080-21-6
• 分子式：C₂₅H₃₀FN₃O₃
• 分子量：439.52200
• 发布时间：2017-11-05 10:39:52
• 更新时间：2024-01-14 18:07:27

名称

• 英文名: 8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
• 英文别名: 8-(3-(2-p-Fluorophenyl-2-dioxolanyl)propyl)-4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)decane; 1-phenyl-8-[3-(2-(4-fluorophenyl)-1,3-dioxolan-2-yl)propyl]-1,3,8-triazaspiro[4.5]decan-4-one; 8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one; 8-<3-<2-(4-fluorophenyl)-1,3-dioxolan-2-yl>propyl>-1-phenyl-1,3,8-triazaspiro<4.5>decan-4-one; spiperone ketal; 1,3,8-Triazaspiro(4.5)decan-4-one,8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1-phenyl

物化性质

• 密度: 1.29g/cm3
• 沸点: 628.3ºC at 760mmHg
• 分子式: C₂₅H₃₀FN₃O₃
• 分子量: 439.52200
• 闪点: 333.8ºC
• 精确质量: 439.22700
• PSA: 54.04000
• LogP: 3.56570
• 折射率: 1.627

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : XX9170000 CHEMICAL NAME : 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1- phenyl- CAS REGISTRY NUMBER : 54080-21-6 BEILSTEIN REFERENCE NO. : 0634001 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C25-H30-F-N3-O3 MOLECULAR WEIGHT : 439.58 WISWESSER LINE NOTATION : T6N DXTJ A3- BT5O COTJ BR DF&& D-& CT5MVXN EHJ DR HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 24 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#11746

合成路线

1021-25-6 3308-94-9 ~79% 54080-21-6

文献：Khorana, Nantaka; Bondarev, Mikhail; Dukat, Malgorzata; Herrick-Davis, Katharine; Egan, Christina; DuPre, Ann; Smith, Carol; Teitler, Milt; Glennon, Richard A. Medicinal Chemistry Research, 1999 , vol. 9, # 9 p. 657 - 667

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