13640-51-2

• 常用中文名：2-(3-Pyridylmethylene)-3,4-dihydro-1(2H)-naphthalenone
• 常用英文名：2-(3-Pyridylmethylene)-3,4-dihydro-1(2H)-naphthalenone
• CAS号：13640-51-2
• 分子式：C₁₆H₁₃NO
• 分子量：235.28100
• 发布时间：2017-08-26 02:50:54
• 更新时间：2024-02-29 08:43:41

名称

• 英文名: 3,4-dihydro-2-(3-pyridinylmethylene)-1(2h)-naphthalenone
• 英文别名: (E)-4,5-Dihydro-4,4-dimethyl-2-(2-(3-nitrophenyl)ethenyl)oxazole monohydrochloride; (E)-2-(3-Nitrostyryl)-4,4-dimethyl-2-oxazoline hydrochloride; 4,4-dimethyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-5H-1,3-oxazole hydrochloride; Oxazole,4,5-dihydro-4,4-dimethyl-2-(2-(3-nitrophenyl)ethenyl)-,monohydrochloride,(E); (E)-2-(3-Pyridyl)methylene-1-tetralone

物化性质

• 密度: 1.214g/cm3
• 沸点: 415ºC at 760 mmHg
• 分子式: C₁₆H₁₃NO
• 分子量: 235.28100
• 闪点: 210.9ºC
• 精确质量: 235.10000
• PSA: 29.96000
• LogP: 3.29410
• 蒸汽压: 4.27E-07mmHg at 25°C
• 折射率: 1.664

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : QK5054010 CHEMICAL NAME : 1(2H)-Naphthalenone, 3,4-dihydro-2-(3-pyridylmethylene)- CAS REGISTRY NUMBER : 13640-51-2 BEILSTEIN REFERENCE NO. : 1461622 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C16-H13-N-O MOLECULAR WEIGHT : 235.30 WISWESSER LINE NOTATION : L66 BVYT&J CU1- CT6NJ HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 147 mg/kg TOXIC EFFECTS : Behavioral - muscle weakness REFERENCE : JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 56,644,1967

合成路线

500-22-1 529-34-0 ~45% 13640-51-2

文献：Waechter, Gerald A.; Hartmann, Rolf W.; Sergejew, Tom; Gruen, Gertrud L.; Ledergerber, Dorothea Journal of Medicinal Chemistry, 1996 , vol. 39, # 4 p. 834 - 841

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