5-Fluoro-4-Hydroxypyrimidine 4-羟基-5-氟嘧啶
CAS 671-35-2 MFCD00223674
化学结构图
SMILES: O=c1[nH]cncc1F
化学属性
| Mol. Formula | C4H3FN2O |
|---|---|
| Mol. Weight | 114.09 |
| Density | 1.422 |
| Appearance | 白色鳞片状结晶，熔点203-204℃。易溶于水，碱性溶液，溶于乙酸，热乙醇，不溶于乙醇，丙酮，氯仿，乙醚。 |
| Melting Point | 203-205 |
别名和识别编码
| Chemical Name | 5-Fluoro-4-Hydroxypyrimidine |
|---|---|
| CAS Number | 671-35-2 |
| Alfabeta Name | FLUOROHYDROXYPYRIMIDINE 54--- |
| MDL Number | MFCD00223674 |
| EC Number | 250-023-7 |
| Beilstein Registry Number | 0508210 |
| Synonym | Fluoxydine 4-Hydroxy-5-fluorpyrimidine 5-氟嘧啶醇 5-Fluoro-4(1H)-pyrimidone 5-Fluor-4-pyrimidinol 4-羟基-5-氟嘧啶 Fluoxidine 5-Fluoro-3H-pyrimidin-4-one; 5-Fluoro-4(1H)-pyrimidinone; 5-Fluor-4-pyrimidinol; 4-Hydroxy-5-fluorpyrimidine 5-Fluoro-4-hydroxypyrimidine ,98% 5-FLUORO-4-HYDROXYPYRIMIDINE 5-氟-3H-嘧啶-4-酮 4-Hydroxy-5-fluorpyrimidin fluoxydine 4-hydroxy-5-fluorpyrimidin 5-Fluoro-4(1H)-pyrimidinone fluoxidine 5-fluoro-3h-pyrimidin-4-one 5-Fluoropyrimidin-4-ol 4(1H)-Pyrimidinone, 5-fluoro- (8CI,9CI) 5-fluoro-4(1h)-pyrimidinon 5-氟-4-羟基嘧啶 富雪定 |
| Chemical Name Translation | 4-羟基-5-氟嘧啶 |
| Wiswesser Line Notation | T6N CNJ DQ EF |
| LabNetwork Molecule ID | LN00172265 |
| PubChem Substance ID | 101497 |
| InChI | InChI=1S/C4H3FN2O/c5-3-1-6-2-7-4(3)8/h1-2H,(H,6,7,8) |
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安全信息
GHS Symbol
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 118 mg/kg TOXIC EFFECTS : Behavioral - food intake (animal) Gastrointestinal - hypermotility, diarrhea Tumorigenic - active as anti-cancer agent REFERENCE : YHTPAD Yaoxue Tongbao. Bulletin of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.13-23, 1978-88. For publisher information, see ZYZAEU. Volume(issue)/page/year: 15(6),7,1980
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 72 mg/kg TOXIC EFFECTS : Behavioral - food intake (animal) Gastrointestinal - hypermotility, diarrhea Tumorigenic - active as anti-cancer agent REFERENCE : YHTPAD Yaoxue Tongbao. Bulletin of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.13-23, 1978-88. For publisher information, see ZYZAEU. Volume(issue)/page/year: 15(6),7,1980
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 175 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CKFRAY Ceskoslovenska Farmacie. (PNS-Ustredni Expedice a Dovoz Tisku, Kafkova 19, 160 00 Prague 6, Czechoslovakia) V.1- 1952- Volume(issue)/page/year: 28,159,1979
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1435 mg/kg TOXIC EFFECTS : Lungs, Thorax, or Respiration - respiratory depression Tumorigenic - active as anti-cancer agent REFERENCE : YHTPAD Ya
其他信息
- 方法一:由氟乙酸乙酯经缩合反应而得。将甲醇钠加入干燥的反应锅内，加甲酸乙酯除去甲醇钠中的游离碱。搅拌下常压蒸出甲醇，然后减压蒸馏，直至甲醇钠成为白色粉末，降温至50℃，加入甲苯。再降至10℃下，滴加甲酸乙酯。加完后仍保持10℃以下滴加氟乙酸乙酯，加毕，在20-25℃反应7h，然后降至10℃以下，加入无水甲醇及乙酸甲脒，搅拌至反应物固化，静置过夜。加入盐酸，慢慢加热使固化物溶解。过滤，滤液常压蒸去部分液体，冷却结晶，过滤得到粗品。用无水乙醇重结晶，活性炭脱色，即得5-氟-4-羟基嘧啶。
- 检测方法:HPLC,NMR
- MOL 文件:671-35-2.mol
- 用途一:该品为抗肿瘤药物。
- 上游原料:甲醇 --> 醋酸甲脒 --> 氟乙酸乙酯
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