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(E)-3-[3'-(4''-氟苯基)-1'-异丙基-1H-吲哚-2''-基]-2-丙烯醛 | 93957-50-7

(E)-3-[3'-(4''-氟苯基)-1'-异丙基-1H-吲哚-2''-基]-2-丙烯醛
(E)-3-(3-(4-Fluorophenyl)-1-isopropyl-1H-indol-2-yl)acrylaldehyde
93957-50-7
C20H18FNO
307.36142873764
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:(E)-3-[3'-(4''-氟苯基)-1'-异丙基-1H-吲哚-2''-基]-2-丙烯醛结构式
160871011
名称和标识符
MDL MFCD03840863
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+
SMILES C(/C1N(C(C)C)C2C=CC=CC=2C=1C1C=CC(F)=CC=1)=C\C=O
别名信息
- 中文别名 -
  • (E)-3-[3'-(4''-氟苯基)-1'-异丙基-1H-吲哚-2''-基]-2-丙烯醛
  • (E)-3-[3-(4-氟苯基)-1-异丙基吲哚-2-基]丙烯醛
  • 3-[3-(4-氟苯基)-1-异苯基-1H-吲哚-2-基]-丙烯醛
  • (E)-3-(3-(4-氟苯基)-1-异丙基-1H-吲哚-2-基)丙烯醛
  • (E)-3-[3&#39-(4"-氟苯基)-1&#39-异丙基-1H-吲哚-2"-基]-2-丙烯醛
  • (E)-3-[3&#39-(4-氟苯基)-1&#39-异丙基-1H-吲哚-2-基]-2-丙烯醛
  • (E)-3-[3''-(4"-氟苯基)-1''-异丙基-1H-吲哚-2"-基]-2-丙烯醛
  • (E)-3-[3'-(4"-氟苯基)-1'-异丙基-1H-吲哚-2"-基]-2-丙烯醛
  • (E)-3-[3-(4-Fluorophenyl)-1-isopropylindol-2-yl]acrolein (E)-3-[3-(4-氟苯基)-1-异丙基吲哚-2-基]丙烯醛
  • (E)-3-[3’-(4"-氟苯基)-1’-异丙基-1H-吲哚-2"-基]-2-丙烯醛
  • 2-碘-4-溴氟苯
  • F-2(E)-3-[3-(4-氟苯基)-1-异丙基-1H-吲哚-2-基]-2-丙烯醛
  • Fenal(氟伐他汀中间体)
  • 氟伐他汀钠中间体
  • (E)-3-[3'-(4''-氟苯基)-1'-(1''-甲基乙基)-1H-吲哚-2''-基]-2-丙烯醛
  • 3-[3-(4-氟苯基)-1-异苯基-1,H吲哚-2-基]-丙烯醛
  • (E)-3-[3'-(4"-氟苯基)-1'-异丙基-1H-吲哚-2"-基]-2-丙烯醛
  • (E)-3-[3'-(4''-氟苯基)-1'-(1''-甲基乙基)-1H-吲哚-2''-基]-2-丙烯醛
- 英文别名 -
  • (E)-3-(3-(4-Fluorophenyl)-1-isopropyl-1H-indol-2-yl)acrylaldehyde
  • (2E)-3-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-2-propenal
  • (E)-3-[3-(4-Fluorophenyl)-1-(Isopropyl)-1h-Indol-2-yl]-2-Propenal
  • (E)-3-[3-(4-Fluorophenyl)-1-isopropylindol-2-yl]acrolein
  • (E)-3-[3'-(4"-Fluorophenyl)-1'-(1"-methylethyl)-1H-indol-2"-yl]-2-propnal
  • (E)-3-[3-(4-Fluorophenyl)-1-isopropyl-1H-indol-2-yl]-propenal
  • Fluvastatin F-2
  • 1-Isopropyl-2-acrolein-3-(4-fluorophenyl)-indole
  • (E)-3-[3-(4-Fluorophenyl)-1-isopropylindol-2-yl]propenal
  • (e)-3-[3'-(4''-fluorophenyl)-1'-(1''-methylethyl)-1h-indol-2''-yl]-2-propnal
  • 3-(3-4-fluorophenyl-1-isopropyl-1h-indole-2-yl) propenal
  • Fenal
  • 3-[3-(4-FLUOROPHENYL)-1-(1-METHYLETHYL)-1H-INDOL-2-YL]-(E)-2-PROPENAL
  • 2-Propenal, 3-[3-(4-fluo
  • (2E)-3-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-2-propenal (ACI)
  • 2-Propenal, 3-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-, (E)- (ZCI)
物化性质
实验特性
LogP 5.24040
PSA 22.00000
沸点 497.643°C at 760 mmHg
熔点 129.0 to 133.0 deg-C
密度 1.10
计算特性
精确分子量 307.13700
氢键供体数量 0
氢键受体数量 2
可旋转化学键数量 4
重原子数量 23
复杂度 427
拓扑分子极性表面积 22
海关数据
海关编码 2933990090
海关数据

中国海关编码:

2933990090

概述:

2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

合成路线

合成路线:1 步

反应条件:
参考文献:
Vinylformylation utilizing propeniminium salts
Lee, George T.; Amedio, John C. Jr.; Underwood, Russell; Prasad, Kapa; Repic, Oljan, Journal of Organic Chemistry, 1992, 57(11), 3250-2

合成路线:1 步

反应条件:
参考文献:
Facile and Highly Enantioselective Synthesis of (+)- and (-)-Fluvastatin and Their Analogues
Zacharia, James T.; Tanaka, Takanori; Hayashi, Masahiko, Journal of Organic Chemistry, 2010, 75(22), 7514-7518

合成路线:1 步

反应条件:
参考文献:
A catalytic approach to the synthesis of (+)-fluvastatin analogue
Kim, Aejin; Kim, In Su, Bulletin of the Korean Chemical Society, 2011, 32(10), 3748-3751

合成路线:1 步

反应条件:
参考文献:
Synthesis, crystal studies and in vivo anti-hyperlipidemic activities of indole derivatives containing fluvastatin nucleus
Kalalbandi, Veerendra Kumar A.; Seetharamappa, J.; Katrahalli, Umesha, RSC Advances, 2015, 5(48), 38748-38759

合成路线:1 步

反应条件:
参考文献:
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)
Jin, Hong-ri; Chen, Xiao-fang; Yan, Qi-dong; Yang, Mei-ling, Hecheng Huaxue, 2008, 16(3), 358-361

合成路线:1 步

反应条件:
参考文献:
Synthesis, characterization, crystal studies of (E)-3-(3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl) acrylaldehyde
Kalalbandi, Veerendra Kumar A.; Seetharamappa, J., Crystal Structure Theory and Applications, 2013, 2(4), 150-156

合成路线:1 步

反应条件:
参考文献:
The Vilsmeier reaction of fully conjugated carbocycles and heterocycles
Jones, Gurnos; Stanforth, Stephen P., Organic Reactions (Hoboken, 1997, 49,

合成路线:1 步

反应条件:
参考文献:
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)
Cai, Zhengyan; Ning, Qi; Zhou, Weicheng, Zhongguo Yiyao Gongye Zazhi, 2007, 38(2), 73-75

合成路线:1 步

参考文献:
Preparation of N,N-disubstituted (E)-3-amino-2-propenals as mevalonate analog intermediates
, United States, , ,

合成路线:1 步

反应条件:
参考文献:
Palladium-catalyzed synthesis of 2-alkenyl-3-arylindoles via a dual α-arylation strategy: formal synthesis of the antilipemic drug fluvastatin
Kale, Ajit Prabhakar; Kumar, Gangam Srikanth; Kapur, Manmohan, Organic & Biomolecular Chemistry, 2015, 13(45), 10995-11002

合成路线:1 步

反应条件:
参考文献:
Bronsted Acids Enable Three Molecular Rearrangements of One 3-Alkylidene-2H-1,2-oxazine Molecule into Distinct Heterocyles
Mokar, Bhanudas Dattatray; Liu, Jinxian; Liu, Rai-Shung, Organic Letters, 2018, 20(4), 1038-1041

合成路线:1 步

反应条件:
参考文献:
Method for preparation of (+)-fluvastatin
, Korea, , ,

合成路线:1 步

反应条件:
参考文献:
Process for preparing an indole compound
, India, , ,

合成路线:1 步

参考文献:
Synthesis of (E)-3-[3-(4-fluorophenyl)-1-methylethyl)-1H- indol-2-yl]-2-propenal
Chen, Weiping; Liao, Yongwei; Yang, Genjin; Zhang, Wannian, Zhongguo Yaowu Huaxue Zazhi, 1998, 8(1), 50-53

合成路线:1 步

参考文献:
Analogs of mevalolactone and derivatives thereof and their use as pharmaceuticals
, World Intellectual Property Organization, , ,
专业数据库参考
PubChemId 160871011
参考资料
Reaxys RN 5443009
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