74039-62-6

• 常用中文名：1,3-dimethyl-8-prop-2-enyl-7H-purine-2,6-dione
• 常用英文名：1,3-dimethyl-8-prop-2-enyl-7H-purine-2,6-dione
• CAS号：74039-62-6
• 分子式：C₁₀H₁₂N₄O₂
• 分子量：220.22800
• 发布时间：2017-08-15 18:32:31
• 更新时间：2024-01-10 14:39:47

名称

• 英文名: 1,3-dimethyl-8-prop-2-enyl-7H-purine-2,6-dione
• 英文别名: 8-Allyl-1,3-dimethyl-3,7-dihydro-purin-2,6-dion; 8-Allyltheophylline; 8-Allyl-theophyllin; 8-allyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione; Theophylline,8-allyl; 1,3-dimethyl-8-(prop-2-en-1-yl)-3,7-dihydro-1h-purine-2,6-dione

物化性质

• 密度: 1.316g/cm3
• 沸点: 466.6ºC at 760 mmHg
• 分子式: C₁₀H₁₂N₄O₂
• 分子量: 220.22800
• 闪点: 236ºC
• 精确质量: 220.09600
• PSA: 72.68000
• 折射率: 1.597

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : XH3859600 CHEMICAL NAME : Theophylline, 8-allyl- CAS REGISTRY NUMBER : 74039-62-6 BEILSTEIN REFERENCE NO. : 0212088 LAST UPDATED : 199612 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C10-H12-N4-O2 MOLECULAR WEIGHT : 220.26 WISWESSER LINE NOTATION : T56 BM DN FNVNVJ C2U1 F1 H1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 200 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 43,152,1954 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 180 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#04390

合成路线

157399-93-4 ~% 74039-62-6

文献：Rybar, A.; Alfoeldi, J.; Smondrkova, I. Monatshefte fuer Chemie, 1994 , vol. 125, # 5 p. 565 - 570

6972-27-6 ~% 74039-62-6

文献：Rybar, A.; Alfoeldi, J.; Smondrkova, I. Monatshefte fuer Chemie, 1994 , vol. 125, # 5 p. 565 - 570

5440-00-6 ~% 74039-62-6

文献：Rybar, A.; Alfoeldi, J.; Smondrkova, I. Monatshefte fuer Chemie, 1994 , vol. 125, # 5 p. 565 - 570

157399-92-3 ~% 74039-62-6

文献：Rybar, A.; Alfoeldi, J.; Smondrkova, I. Monatshefte fuer Chemie, 1994 , vol. 125, # 5 p. 565 - 570

99171-67-2 ~% 74039-62-6 157399-90-1

文献：Rybar, A.; Alfoeldi, J.; Smondrkova, I. Monatshefte fuer Chemie, 1994 , vol. 125, # 5 p. 565 - 570

5440-00-6 625-38-7 ~% 74039-62-6

文献：Hager et al. Journal of the American Pharmaceutical Association (1912-1977), 1954 , vol. 43, p. 152,154

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