CAS: 126690-41-3; 11-(4-(Dimethylamino)Phenyl)-13-Methyl-17-(2-Methyl-1,3-Dioxolan-2-yl)-1,2,6,7,8,11,12,13,14,15,16,17-Dodecahydrospiro[cyclopenta[a]Phenanthrene-3,2'-[1,3]Dioxolane]-5,17(4H)-Diol

英文名称11-(4-(Dimethylamino)Phenyl)-13-Methyl-17-(2-Methyl-1,3-Dioxolan-2-yl)-1,2,6,7,8,11,12,13,14,15,16,17-Dodecahydrospiro[cyclopenta[a]Phenanthrene-3,2'-[1,3]Dioxolane]-5,17(4H)-Diol
中文名称11-(4-(二甲氨基)苯基)-13-甲基-17-(2-甲基-1,3-二氧戊环-2-基)-1,2,6,7,8,11,12,13,14 ,15,16,17-十二氢螺[环戊[a]菲-3,2'-[1,3]二氧戊环]-5,17(4H)-二醇
其它别名(5A,11B)-11-[4-(二甲基氨基)苯基]-5,17-二羟基-19-去甲基雄甾-9-烯-3,20-二酮双(1,2-乙二醇)环缩醛; 3,3,3,20,20-Bis(Ethylene-Dioxy) -5α,17α-Dihydroxy-11β-[4-(N, N-Dimethylamino)-Phenyl]-19-Norpregna-9(11)-Ene
CAS编号126690-41-3
MFCD编号:MFCD23160371
FDA UNII编号:D3MFZ8ECV9
分子式:C32H45NO6
分子量:539.71
产品CID: 422748
产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

相似结构搜索
InChIKey: FBRARNYJAASEAN-UFXAQBIISA-N
1S/C32H45NO6/c1-28-19-24(21-5-7-22(8-6-21)33(3)4)27-23(25(28)11-14-32(28,35)29(2)36-15-16-37-29)9-12-30(34)20-31(13-10-26(27)30)38-17-18-39-…
计算化学: 氢键受体数7.0氢键供体数2.0可旋转键数3.0

物理性质

沸点697.0±55.0 °C at 760 mmHg
闪点375.3±31.5 °C
密度1.3±0.1 g/cm3
PSA:80.62
LogP:4.515
折射率1.620
蒸汽压0.0±2.3 mmHg at 25°C
储存条件2-8°C, sealed storage, away from moisture and light

MSDS等安全信息

GHS符号GHS07
警示词Warning
危险描述H302-H315-H319-H335
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

上下游产品

CAS号54201-84-2 醋酸优力司特中间体 | CAS号126784-99-4 醋酸乌利司他 | CAS号159811-51-5 乌利司他

合成工艺路线路线简述

海关参考信息

2901210000-乙烯
2901220000-丙烯
2902600000-乙苯
2902700000-异丙基苯
💡 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

专利信息

专利号:US-8110691-B2
优先权日:2006-06-14
标题 :Industrial process for the synthesis of 17Î±-acetoxy-11Î²-[4-(N,N-dimethyl-amino)-phenyl]-19-norpregna-4,9-diene-3,20-dione and new intermediates of the process
发明人：DANCSI LAJOSNE; VISKY GYOERGY; TUBA ZOLTAN; CSOERGEI JANOS; MOLNAR CSABA; MAGYARI ENDRENE
权利人:DANCSI LAJOSNE; VISKY GYOERGY; TUBA ZOLTAN; CSOERGEI JANOS; MOLNAR CSABA; MAGYARI ENDRENE; RICHTER GEDEON NYRT
摘要:A new industrial process for the synthesis of solvate-free 17Î±-acetoxy-11Î²-[4-(N,N-dimethyl-amino)-phenyl]-19-norpregna-4,9-diene-3,20-dione [CDB-2914] of formula (I) which is a strong antiprogestogene and antiglucocorticoid agent. The invention also relates to compounds of formula (VII) and (VIII) used as intermediates in the process.

专利号:US-9676814-B2
优先权日:2013-10-01
标题:Industrial process for the synthesis of ulipristal acetate and its 4â€²-acetyl analogue
发明人：MahÃ³ SÃ¡ndor; SÃ?NTA CSABA; CsÃ¶rgei JÃ¡nos; HorvÃ¡th JÃ¡nos; ARANYI ANTAL; BÃ‰NI ZOLTÃ?N
权利人:RICHTER GEDEON NYRT
摘要:The present invention relates to a new process for the synthesis of compounds of formula (I) (wherein the meaning of R is dimethylamino or acetyl group) using the compound of formula (II) (wherein the meaning of R is dimethylamino or 2-methyl-1,3-dioxolan-2-yl group) as starting material, as well as to the intermediate of the process.

专利号:US-2009187032-A1
优先权日:2006-06-14
标题 :INDUSTRIAL PROCESS FOR THE SYNTHESIS OF 17alpha-ACETOXY-11beta-[4-(N,N-DIMETHYL-AMINO)-PHENYL]-19-NORPREGNA-4,9-DIENE-3,20-DIONE AND NEW INTERMEDIATES OF THE PROCESS

专利号:EP-3052513-B1
优先权日:2013-10-01
标题:Industrial process for the synthesis of ulipristal acetate and its 4'-acetyl analogue

专利号:EP-2027140-B1
优先权日:2006-06-14
标题:Industrial process for the synthesis of 17 alpha -acetoxy-11 beta -[4-(n,n-dimethyl-amino)- phenyl]-19-norpregna-4,9-diene-3,20-dione and new intermediates of the process

专利号:US-2016311849-A1
优先权日:2013-10-01
标题 :Industrial Process for the Synthesis of Ulipristal Acetate and its 4'-Acetyl Analogue