39832-36-5

• 常用中文名：1-Ethyl theobromine
• 常用英文名：1-Ethyl theobromine
• CAS号：39832-36-5
• 分子式：C₉H₁₂N₄O₂
• 分子量：208.21700
• 发布时间：2016-11-09 16:54:13
• 更新时间：2024-01-09 20:49:03

名称

• 英文名: 1-ethyl-3,7-dimethylpurine-2,6-dione
• 英文别名: 1-Ethyl-3,7-dimethyl-xanthine; Theobromine,1-ethyl; 1H-Purine-2,6-dione,1-ethyl-3,7-dihydro-3,7-dimethyl; 1-ethyl-3,7-dimethyl-3,7-dihydro-purine-2,6-dione; 1-Ethyl-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione; 1-Aethyl-3,7-dimethyl-3,7-dihydro-purin-2,6-dion; 1-Ethyl-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione; 1-Ethyl theobromine; 3,7-dimethyl-1-ethyl-xanthine; ethyl-1 dimethyl-3,7-xanthine

物化性质

• 密度: 1.39g/cm3
• 沸点: 420.9ºC at 760 mmHg
• 分子式: C₉H₁₂N₄O₂
• 分子量: 208.21700
• 闪点: 208.4ºC
• 精确质量: 208.09600
• PSA: 61.82000
• 折射率: 1.656

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : XH2380000 CHEMICAL NAME : Theobromine, 1-ethyl- CAS REGISTRY NUMBER : 39832-36-5 BEILSTEIN REFERENCE NO. : 0225307 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C9-H12-N4-O2 MOLECULAR WEIGHT : 208.25 WISWESSER LINE NOTATION : T56 BN DN FNVNVJ B1 F1 H2 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 : 61 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 86,113,1946

合成路线

74-96-4 83-67-0 ~72% 39832-36-5

文献：Hedayatullah, Mir Journal of Heterocyclic Chemistry, 1982 , vol. 19, p. 249 - 251

83-67-0 75-03-6 ~3% 39832-36-5

文献：Bier, Dirk; Hartmann, Rudolf; Holschbach, Marcus Rapid Communications in Mass Spectrometry, 2013 , vol. 27, # 8 p. 885 - 895

16017-78-0 ~% 39832-36-5

文献：Kowalska, Alicja; Maslankiewicz, Andrzej; Syrek, Barbara; Cieplinski, Piotr Monatshefte fuer Chemie, 1985 , vol. 116, p. 341 - 352

75-03-6 ~% 39832-36-5

文献：Biltz; Max Justus Liebigs Annalen der Chemie, 1921 , vol. 423, p. 320

64-67-5 83-67-0 ~% 39832-36-5

文献：Biilmann; Berg Chemische Berichte, 1930 , vol. 63, p. 2188,2202

83-67-0 80-40-0 ~% 39832-36-5

文献：Rodionow Bulletin de la Societe Chimique de France, 1926 , vol. <4> 39, p. 318 Bulletin de la Societe Chimique de France, 1929 , vol. <4> 45, p. 119

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