CAS: 93957-50-7; (E)-3-(3-(4-Fluorophenyl)-1-Isopropyl-1H-Indol-2-yl)Acrylaldehyde

• 英文名称(E)-3-(3-(4-Fluorophenyl)-1-Isopropyl-1H-Indol-2-yl)Acrylaldehyde
• 中文名称(E)-3-(3-(4-氟苯基)-1-异丙基-1H-吲哚-2-基)丙烯醛
• IUPAC名称(E)-3-(3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl)acrylaldehyde
• 其它别名(E)-3-[3-(4-氟苯基)-1-异丙基吲哚-2-基]丙烯醛; Fluvastatin Intermediate
• CAS编号93957-50-7
• MFCD编号:MFCD03840863
• EINECS号:425-370-4
• 分子式:C20H18FNO
• 分子量:307.36
• 产品CID: 1983466
• 产品分类有机原料→分子砌块→芳杂环类化合物→吲哚类化合物

• 相似结构搜索
• InChIKey: DVWHSTKQJBIYCK-VMPITWQZSA-N
• InChI=1S/C20H18FNO/c1-14(2)22-18-7-4-3-6-17(18)20(19(22)8-5-13-23)15-9-11-16(21)12-10-15/h3-14H,1-2H3/b8-5+…
• 计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数4.0

物理性质

• 熔点127-129°C
• 沸点497.643°C at 760 mmHg
• 闪点254.8±28.7 °C
• 密度1.1±0.1 g/cm3
• PSA:22.0
• LogP:5.2404
• 折射率1.571
• 蒸汽压0.0±1.3 mmHg at 25°C
• 溶解性DMSO (Slightly), Methanol (Slightly)
• 外观形态浅橙色至黄色至绿色粉末至晶体
• 储存条件惰性气氛,存放于冰箱中, -20°C
• 产品应用该化合物用作合成氢氟丙他林(F6001250)的一种反应剂,一种合成的HMG-COA还原酶抑制剂.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS09;
  注释: Exclamation mark & Environment
• 危险类别皮肤致敏 类别1
  水生急性毒性 类别1
  水生慢性毒性 类别1
• 警示词Warning(警告)
• 危险描述H317 |可能引起皮肤过敏反应.
  H400 |对水生生物毒性极大.
  H410 |对水生生物毒性极大并具有长期持续影响.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险等级9
• UN编号UN 3077 9/PG III
• 危险品标志Xi:Irritant;N:Dangerousfortheenvironment;
• 包装等级III
• 安全声明S2-S22-S24-S37-S60-S61
• 危险类别码R50/53,R43

欧盟法规

上下游产品

合成工艺路线路线简述

• 1811523-40-6 = 93957-50-7
  反应条件:1.1 Solvents: Chloroform-D; 2 D,Rt
  标题:Bronsted Acids Enable Three Molecular Rearrangements Of One 3-Alkylidene-2H-1,2-Oxazine Molecule Into Distinct Heterocyles
  作者:Mokar,Bhanudas Dattatray; Liu,Jinxian; Liu,Rai-Shung
  参考文献:Organic Letters 日期:2018 卷标:20(4) 页码:1038-1041]
  
  93957-49-4 + 34900-01-1 = 93957-50-7
  反应条件:1.1 Reagents: Phosphorus Oxychloride
  标题:The Vilsmeier Reaction Of Fully Conjugated Carbocycles And Heterocycles
  作者:Jones,Gurnos; Stanforth,Stephen P.
  参考文献:Organic Reactions (Hoboken 日期:1997 卷标:49]
  
  14189-82-3 + 93957-49-4 = 93957-50-7
  反应条件:1.1 Reagents: Phosphorus Oxychloride Solvents: Acetonitrile; -5 °C; 10 Min,5 - 7 °C1.2 3 H,Reflux; Reflux -> Rt1.3 Reagents: Water; 1.5 H
  标题:Synthesis Of (3R,5S,6E)-Rel-7-[3-(4-Fluorophenyl)-1-(1-Methylethyl)-1H-Indol-2-Yl]-3,5-Dihydroxy-6-Heptenoic Acid Sodium Salt (Fluvastatin Sodium)
  作者:Cai,Zhengyan; Ning,Qi; Zhou,Weicheng
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2007 卷标:38(2) 页码:73-75]
  
  14189-82-3 + 93957-49-4 = 93957-50-7
  反应条件:1.1 Reagents: Phosphorus Oxychloride Solvents: Acetonitrile; 3 H,80 °C
  标题:Method For Preparation Of (+)-Fluvastatin
  参考文献:Korea]
  
  1118757-66-6 = 93957-50-7
  反应条件:1.1 Reagents: Phosphorus Oxychloride Solvents: Dimethylformamide; 0 - 3 °C; 3 °C -> Rt; > 1 Min,Rt1.2 Solvents: Dimethylformamide; Rt; 8 H,Rt
  标题:Process For Preparing An Indole Compound
  参考文献:India]
  
  = 93957-50-7 [标题:Reaction Conditions
  标题:Synthesis Of (E)-3-[3-(4-Fluorophenyl)-1-Methylethyl)-1H- Indol-2-Yl]-2-Propenal
  作者:Chen,Weiping; Liao,Yongwei; Yang,Genjin; Zhang,Wannian
  参考文献:Zhongguo Yaowu Huaxue Zazhi 日期:1998 卷标:8(1) 页码:50-53]
  
  = 93957-50-7 [标题:Reaction Conditions
  标题:Analogs Of Mevalolactone And Derivatives Thereof And Their Use As Pharmaceuticals
  参考文献:World Intellectual Property Organization]
  
  14189-82-3 + 93957-49-4 = 93957-50-7
  反应条件:1.1 Reagents: Phosphorus Oxychloride Solvents: Acetonitrile; 45 Min,-5 °C; 10 Min,5 - 7 °C1.2 Solvents: Acetonitrile; 5 °C -> Reflux; 3 H,Reflux; Reflux -> Rt1.3 Solvents: Water; Rt
  标题:Facile And Highly Enantioselective Synthesis Of (+)- And (-)-Fluvastatin And Their Analogues
  作者:Zacharia,James T.; Tanaka,Takanori; Hayashi,Masahiko
  参考文献:Journal Of Organic Chemistry 日期:2010 卷标:75(22) 页码:7514-7518]
  
  14189-82-3 + 93957-49-4 = 93957-50-7
  反应条件:1.1 Reagents: Phosphorus Oxychloride Solvents: Acetonitrile; 3 H,80 °C
  标题:A Catalytic Approach To The Synthesis Of (+)-Fluvastatin Analogue
  作者:Kim,Aejin; Kim,In Su
  参考文献:Bulletin Of The Korean Chemical Society 日期:2011 卷标:32(10) 页码:3748-3751]
  
  93957-49-4 + 34900-01-1 = 93957-50-7
  反应条件:1.1 Reagents: Phosphorus Oxychloride Solvents: Acetonitrile; 45 Min,-5 °C; 10 Min,5 - 7 °C1.2 10 Min,5 - 7 °C; 3 H,7 °C -> 83 °C; 83 °C -> 22 °C1.3 Reagents: Water; 15 Min,22 °C; 0.5 H,35 - 50 °C; 1.5 H,50 °C -> 55 °C; 55 °C -> 22 °C; 15 Min,22 °C
  标题:Synthesis,Crystal Studies And In Vivo Anti-Hyperlipidemic Activities Of Indole Derivatives Containing Fluvastatin Nucleus
  作者:Kalalbandi,Veerendra Kumar A.; Seetharamappa,J.; Katrahalli,Umesha
  参考文献:Rsc Advances 日期:2015 卷标:5(48) 页码:38748-38759]
  
  93957-49-4 + 34900-01-1 = 93957-50-7
  反应条件:1.1 Reagents: Phosphorus Oxychloride Solvents: Acetonitrile1.2 Solvents: Acetonitrile
  标题:Vinylformylation Utilizing Propeniminium Salts
  作者:Lee,George T.; Amedio,John C. Jr.; Underwood,Russell; Prasad,Kapa; Repic,Oljan
  参考文献:Journal Of Organic Chemistry 日期:1992 卷标:57(11) 页码:3250-2]
  
  14189-82-3 + 93957-49-4 = 93957-50-7
  反应条件:1.1 Reagents: Phosphorus Oxychloride Solvents: Acetonitrile; -5 °C; 45 Min,5 - 7 °C1.2 10 Min,5 - 7 °C; 3 H,83 °C; 83 °C -> 22 °C1.3 Reagents: Sodium Hydroxide Solvents: Toluene,Water; 20 Min,25 - 30 °C; 30 °C -> 22 °C1.4 Reagents: Hydrochloric Acid,Sodium Chloride Solvents: Water; 30 Min,22 °C
  标题:Synthesis Of (3R,5S,6E)-Rel-7-[3-(4-Fluorophenyl)-1-(1-Methylethyl)-1H-Indol-2-Yl]-3,5-Dihydroxy-6-Heptenoic Acid Sodium Salt (1:1) (Fluvastatin Sodium)
  作者:Jin,Hong-Ri; Chen,Xiao-Fang; Yan,Qi-Dong; Yang,Mei-Ling
  参考文献:Hecheng Huaxue 日期:2008 卷标:16(3) 页码:358-361]
  
  14189-82-3 + 93957-49-4 = 93957-50-7
  反应条件:1.1 Reagents: Phosphorus Oxychloride Solvents: Acetonitrile
  标题:Synthesis,Characterization,Crystal Studies Of (E)-3-(3-(4-Fluorophenyl)-1-Isopropyl-1H-Indol-2-Yl) Acrylaldehyde
  作者:Kalalbandi,Veerendra Kumar A.; Seetharamappa,J.
  参考文献:Crystal Structure Theory And Applications 日期:2013 卷标:2(4) 页码:150-156]
  
  = 93957-50-7 [标题:Reaction Conditions
  标题:Preparation Of N,N-Disubstituted (E)-3-Amino-2-Propenals As Mevalonate Analog Intermediates
  参考文献:United States]
  
  145797-78-0 = 93957-50-7 + 1811523-40-6
  反应条件:1.1 Reagents: 1-Hydroxy-1,2-Benziodoxol-3(1H)-One 1-Oxide Solvents: Dimethyl Sulfoxide; 3 H,Rt
  标题:Palladium-Catalyzed Synthesis Of 2-Alkenyl-3-Arylindoles Via A Dual α-Arylation Strategy: Formal Synthesis Of The Antilipemic Drug Fluvastatin
  作者:Kale,Ajit Prabhakar; Kumar,Gangam Srikanth; Kapur,Manmohan
  参考文献:Organic & Biomolecular Chemistry 日期:2015 卷标:13(45) 页码:10995-11002

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2912110000-甲醛
  2912120000-乙醛
• 💡 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

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