CAS: 875573-66-3; (7A,17B)-7-(9-Bromononyl)-Estra-1,3,5(10)-Triene-3,17-Diol 17-Acetate

• 英文名称(7A,17B)-7-(9-Bromononyl)-Estra-1,3,5(10)-Triene-3,17-Diol 17-Acetate
• 中文名称(7A,17B)-7-(9-溴壬基)雌甾-1,3,5(10)-三烯-3,17-二醇 17-醋酸酯
• IUPAC名称(7R,8R,9S,13S,14S,17S)-7-(9-bromononyl)-3-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl acetate
• 其它别名(7A,17B)-7-(9-溴壬基)雌甾-1,3,5(10)-三烯-3,17-二醇 17-醋酸酯; Estra-1,3,5(10)-Triene-3,17-Diol,7-(9-Bromononyl)-,17-Acetate,(7A,17B)-
• CAS编号875573-66-3
• MFCD编号:MFCD21609270
• EINECS号:806-737-1
• FDA UNII编号:CL8V87635T
• 分子式:C29H43BrO3
• 分子量:519.56
• 产品CID: 1883456
• 产品分类有机原料→生命科学→甾体

• 相似结构搜索
• InChIKey: KFPTYJLFIUUHEJ-LIHJZYAESA-N
• KFPTYJLFIUUHEJ-DFEBPFGKNA-N…
• 计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数10.0

相似化合物

物理性质

• 沸点593.3±50.0 °C at 760 mmHg
• 闪点312.6±30.1 °C
• 密度1.2±0.1 g/cm3
• pKa:10.26±0.70(预测)
• PSA:46.53
• LogP:7.9218
• 折射率1.564
• 蒸汽压0.0±1.7 mmHg at 25°C
• 储存条件2-8°C

MSDS等安全信息

• GHS象形图
• GHS符号GHS08;
  注释: Health hazard
• 危险类别生殖毒性 类别1B
• 警示词Danger(危险)
• 危险描述H360 |可能损害生育能力或胎儿.
• 防范说明P264-P270-P280-P302+P352-P330-P362+P364-P501

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 (7A,17B)-7-(9-Bromononyl)-Estra-1,3,5(10)-Triene-3,17-Diol 17-Acetate 主要起始原料 (7Alpha,17Beta)-17-(Acetyloxy)-7-(9-Bromononyl)Estr-4-En-3-One
• 875573-63-0 = 875573-66-3
  反应条件:1.1 Reagents: Lithium Bromide,Copper Bromide (Cubr2) Solvents: Acetonitrile; 5 Min,Rt; 2 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Diethyl Ether,Water; Rt
  标题:An Alternative Synthesis Of The Breast Cancer Drug Fulvestrant (Faslodex): Catalyst Control Over C-C Bond Formation
  作者:Caprioglio,Diego; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2015 卷标:51(80) 页码:14866-14868]
  
  89359-54-6 + 2590-41-2 = 875573-66-3
  反应条件:1.1 Catalysts: Cuprous Chloride,(11Bs)-N,N-Bis[(1S)-1-Phenylethyl]Dinaphtho[2,1-D:1′,2′-F][1,3,2]Dioxaphosphepin... Solvents: Diethyl Ether; 50 Min,Rt1.2 Catalysts: Silver Triflate; 10 Min,Rt1.3 Reagents: Zirconocene Chloride Hydride Solvents: Dichloromethane; 20 Min,Rt; 10 Min,Rt1.4 Reagents: Chlorotrimethylsilane Solvents: Dichloromethane; 5 Min,Rt; Overnight,Rt1.5 Reagents: Ammonium Chloride Solvents: Diethyl Ether,Water; Rt2.1 Reagents: Lithium Bromide,Copper Bromide (Cubr2) Solvents: Acetonitrile; 5 Min,Rt; 2 H,Rt2.2 Reagents: Hydrochloric Acid Solvents: Diethyl Ether,Water; Rt
  标题:An Alternative Synthesis Of The Breast Cancer Drug Fulvestrant (Faslodex): Catalyst Control Over C-C Bond Formation
  作者:Caprioglio,Diego; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2015 卷标:51(80) 页码:14866-14868

海关参考信息

• 2902600000-乙苯
  2902700000-异丙基苯
  2905122000-异丙醇
  2909110000-乙醚
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管