5770-30-9

• 常用中文名：1,3-dimethyl-8-(2-methylpropyl)-7H-purine-2,6-dione
• 常用英文名：1,3-dimethyl-8-(2-methylpropyl)-7H-purine-2,6-dione
• CAS号：5770-30-9
• 分子式：C₁₁H₁₆N₄O₂
• 分子量：236.27000
• 发布时间：2017-08-27 19:11:52
• 更新时间：2025-08-27 09:27:50

名称

• 英文名: 1,3-dimethyl-8-(2-methylpropyl)-7H-purine-2,6-dione
• 英文别名: 8-Isobutyl theophylline; 8-Isobutyltheophyllin; 8-Isobutyl-1,3-dimethyl-3,7-dihydro-purin-2,6-dion; Xanthine,1,3-dimethyl-8-isobutyl; 8-isobutyl-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione; 8-isobutyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione; Theophylline,8-isobutyl

物化性质

• 密度: 1.249g/cm3
• 沸点: 460.6ºC at 760 mmHg
• 分子式: C₁₁H₁₆N₄O₂
• 分子量: 236.27000
• 闪点: 232.4ºC
• 精确质量: 236.12700
• PSA: 72.68000
• LogP: 0.15880
• 折射率: 1.568

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : XH5910000 CHEMICAL NAME : Theophylline, 8-isobutyl- CAS REGISTRY NUMBER : 5770-30-9 BEILSTEIN REFERENCE NO. : 0235781 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C11-H16-N4-O2 MOLECULAR WEIGHT : 236.31 WISWESSER LINE NOTATION : T56 BM DN FNVNVJ C1Y1&1 F1 H1 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 : 250 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 14,1202,1971

合成路线

503-74-2 5440-00-6 ~% 5770-30-9

文献：Speer; Raymond Journal of the American Chemical Society, 1953 , vol. 75, p. 114

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