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5-溴-2-苯基-1H-吲哚 | 83515-06-4

5-溴-2-苯基-1H-吲哚
5-Bromo-2-phenyl-1H-indole
83515-06-4
C14H10BrN
272.139902591705
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:5-溴-2-苯基-1H-吲哚结构式
名称和标识符
MDL MFCD04151729
InChIKey XGOWHPSXPPZWAH-UHFFFAOYSA-N
Inchi 1S/C14H10BrN/c15-12-6-7-13-11(8-12)9-14(16-13)10-4-2-1-3-5-10/h1-9,16H
SMILES BrC1C=C2C(NC(C3C=CC=CC=3)=C2)=CC=1
别名信息
- 中文别名 -
  • 5-溴-2-苯基-1H-吲哚
- 英文别名 -
  • 5-Bromo-2-phenyl-1H-indole
  • 1H-Indole,5-bromo-2-phenyl-
  • 1H-INDOLE,5-BROMO-2-PHENYL
  • 5-brom-2-phenyl-1H-indole
  • 5-bromo-2-phenyl-indole
  • 1H-INDOLE, 5-BROMO-2-PHENYL-
  • 5-bromo-2-phenylindole
  • 2-Phenyl-5-bromo-1H-indole
  • XGOWHPSXPPZWAH-UHFFFAOYSA-N
  • 2871AC
  • AK116877
  • AX8058839
  • BC4136250
  • 5-Bromo-2-phenyl-1H-indole (ACI)
  • 5-Bromo-2-phenylindole
物化性质
实验特性
LogP 4.59740
PSA 15.79000
熔点 195-196 ºC
密度 1.484
计算特性
精确分子量 271.00000
氢键供体数量 1
氢键受体数量 0
可旋转化学键数量 1
重原子数量 16
复杂度 237
拓扑分子极性表面积 15.8
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:
Copper-catalyzed oxidative benzylic C-H cyclization via iminyl radical from intermolecular anion-radical redox relay
Shan, Xiang-Huan; et al, Nature Communications, 2019, 10(1), 1-9

合成路线:1 步

反应条件:
参考文献:
Water-medium C-H activation over a hydrophobic perfluoroalkane-decorated metal-organic framework platform
Huang, Yuan-Biao; et al, Journal of Catalysis, 2016, 333, 1-7

合成路线:1 步

反应条件:
参考文献:
Synthesis of 2-arylindole derivatives and evaluation as nitric oxide synthase and NFκB inhibitors
Yu, Xufen; et al, Organic & Biomolecular Chemistry, 2012, 10(44), 8835-8847

合成路线:1 步

反应条件:
参考文献:
Multi-site cyclization via initial C-H activation using a rhodium(III) catalyst: rapid assembly of frameworks containing indoles and indolines
Huang, Ji-Rong; et al, Chemical Communications (Cambridge, 2015, 51(14), 2844-2847

合成路线:1 步

反应条件:
参考文献:
Copper-catalyzed oxidative benzylic C-H cyclization via iminyl radical from intermolecular anion-radical redox relay
Shan, Xiang-Huan; et al, Nature Communications, 2019, 10(1), 1-9

合成路线:1 步

反应条件:
参考文献:
Through-Space 1,4-Palladium Migration and 1,2-Aryl Shift: Direct Access to Dibenzo[a,c]carbazoles through a Triple C-H Functionalization Cascade
Bhunia, Samir Kumar; et al, Chemistry - A European Journal, 2015, 21(47), 16786-16791

合成路线:1 步

反应条件:
参考文献:
Rh(III)-catalyzed regioselective C-H activation dialkenylation/annulation cascade for rapid access to 6H-isoindolo[2,1-a]indole
Zhang, Fangming; et al, RSC Advances, 2021, 11(41), 25194-25198

合成路线:1 步

反应条件:
参考文献:
A mild approach for the synthesis of indoles from N-(2-iodo-aryl)formamides and phenylacetylene by a copper(I)- and palladium-catalyzed cascade process
Ahmed, Atiur; et al, Synlett, 2014, 25(17), 2455-2458

合成路线:1 步

反应条件:
参考文献:
NBS-induced intramolecular annulation reactions for the divergent synthesis of fused- and spirocyclic indolines
Luo, Xian; et al, Chemical Communications (Cambridge, 2023, 59(43), 6576-6579

合成路线:1 步

反应条件:
参考文献:
Structure-activity relationships and docking studies of synthetic 2-arylindole derivatives determined with aromatase and quinone reductase 1
Prior, Allan M.; et al, Bioorganic & Medicinal Chemistry Letters, 2017, 27(24), 5393-5399

合成路线:1 步

反应条件:
参考文献:
Palladium-catalyzed tandem addition/cyclization in aqueous medium: synthesis of 2-arylindoles
Yu, Shuling; et al, Organic & Biomolecular Chemistry, 2017, 15(20), 4300-4307

合成路线:1 步

反应条件:
参考文献:
Pd(0)-embedded-lignocellulosic nanomaterials: A bio-tailored reusable catalyst for selective C2-H arylation of free N-H indoles
Bhattacharjee, Prantika; et al, Sustainable Chemistry and Pharmacy, 2023, 33,

合成路线:1 步

反应条件:
参考文献:
Synthesis of 2-Substituted Indoles through Visible Light-Induced Photocatalytic Cyclizations of Styryl Azides
Xia, Xu-Dong; et al, Advanced Synthesis & Catalysis, 2014, 356(13), 2807-2812

合成路线:1 步

反应条件:
参考文献:
Acid-catalyzed cleavage of C-C bonds enables atropaldehyde acetals as masked C2 electrophiles for organic synthesis
Chen, Shaomin; et al, Chemical Communications (Cambridge, 2021, 57(80), 10431-10434

合成路线:1 步

反应条件:
参考文献:
Development of an efficient procedure for indole ring synthesis from 2-ethynylaniline derivatives catalyzed by Cu(II) salts and its application to natural product synthesis
Hiroya, Kou; et al, Journal of Organic Chemistry, 2004, 69(4), 1126-1136

合成路线:1 步

反应条件:
参考文献:
Bimetallic Catalyzed Synthesis of 2-Arylindoles
Ferro, Rita; et al, Synthesis, 2023, 55(21), 3625-3631

合成路线:1 步

反应条件:
参考文献:
O2-Mediated Te(II)-Redox Catalysis for the Cross-Dehydrogenative Coupling of Indoles
Cremer, Christopher ; et al, JACS Au, 2022, 2(6), 1318-1323

合成路线:1 步

反应条件:
参考文献:
Chiral Bronsted Acid from Chiral Phosphoric Acid Boron Complex and Water: Asymmetric Reduction of Indoles
Yang, Kai; et al, Angewandte Chemie, 2020, 59(8), 3294-3299

合成路线:1 步

反应条件:
参考文献:
[1,2]-Aryl migration in the synthesis of substituted indoles: scope, mechanism, and high throughput experimentation
Pei, Tao; et al, Tetrahedron, 2009, 65(16), 3285-3291

合成路线:1 步

反应条件:
参考文献:
Palladium-Catalyzed Aerobic Oxidative Cyclization of N-Aryl Imines: Indole Synthesis from Anilines and Ketones
Wei, Ye; et al, Journal of the American Chemical Society, 2012, 134(22), 9098-9101

合成路线:1 步

反应条件:
参考文献:
Copper catalyzed domino decarboxylative cross coupling-cyclisation reactions: synthesis of 2-arylindoles
Ponpandian, Thanasekaran; et al, Tetrahedron Letters, 2012, 53(32), 4248-4252

合成路线:1 步

反应条件:
参考文献:
Room Temperature Palladium-Catalyzed 2-Arylation of Indoles
Deprez, Nicholas R.; et al, Journal of the American Chemical Society, 2006, 128(15), 4972-4973

合成路线:1 步

反应条件:
参考文献:
Copper-Catalyzed Enantioselective C-H Arylation between 2-Arylindoles and Hypervalent Iodine Reagents
Liang, Hao; et al, Organic Letters, 2021, 23(23), 9246-9250

合成路线:1 步

反应条件:
参考文献:
Microwave irradiated synthesis of 2-bromo(chloro)indoles via intramolecular cyclization of 2-(gem-dibromo(chloro)vinyl)anilines in the presence of TBAF under metal-free conditions
Wang, Min; et al, RSC Advances, 2014, 4(51), 26918-26923

合成路线:1 步

反应条件:
参考文献:
Palladium-catalyzed direct C2-arylation of free (N-H) indoles via norbornene-mediated regioselective C-H activation
Gao, Yadong; et al, Tetrahedron Letters, 2017, 58(23), 2213-2216

合成路线:1 步

反应条件:
参考文献:
C-2 Selective Arylation of Indoles with Heterogeneous Nanopalladium and Diaryliodonium Salts
Malmgren, Joel; et al, Chemistry - A European Journal, 2014, 20(42), 13531-13535

合成路线:1 步

反应条件:
参考文献:
New Indole Tubulin Assembly Inhibitors Cause Stable Arrest of Mitotic Progression, Enhanced Stimulation of Natural Killer Cell Cytotoxic Activity, and Repression of Hedgehog-Dependent Cancer
La Regina, Giuseppe; et al, Journal of Medicinal Chemistry, 2015, 58(15), 5789-5807

合成路线:1 步

反应条件:
参考文献:
The Development of a Palladium-Catalyzed Tandem Addition/Cyclization for the Construction of Indole Skeletons
Yu, Shuling; et al, Journal of Organic Chemistry, 2017, 82(7), 3631-3638
相关文献
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