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4-(4-甲氧基苯基)-2,2:6,2-三吡啶 | 89972-77-0

4-(4-甲氧基苯基)-2,2:6,2-三吡啶
4'-(p-Tolyl)-2,2':6',2''-terpyridine
89972-77-0
C22H17N3
323.390484571457
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:4-(4-甲氧基苯基)-2,2:6,2-三吡啶结构式
24873051
名称和标识符
MDL MFCD06796977
InChIKey IDJYBUVHZHLIIT-UHFFFAOYSA-N
Inchi 1S/C22H17N3/c1-16-8-10-17(11-9-16)18-14-21(19-6-2-4-12-23-19)25-22(15-18)20-7-3-5-13-24-20/h2-15H,1H3
SMILES N1C(C2C=C(C3C=CC(C)=CC=3)C=C(C3C=CC=CN=3)N=2)=CC=CC=1
别名信息
- 中文别名 -
  • 4-(4-甲氧基苯基)-2,2:6,2-三吡啶
  • 4′-(4-甲基苯基)-2,2′:6′,2′′-三吡啶
  • 4 -(4-甲氧基苯基)-2,2 :6 ,2-三吡啶
  • 4'-(4-甲基苯基)-2,2':6',2''-三吡啶
  • 4'-(4-甲基苯基)-2,2:6',2''-三联吡啶
  • 4'-(4-甲氧基苯基)-2,2'﹕6',2''-三吡啶
  • 4'-(4-甲基苯基)-2,2':6',2''-三联吡啶
  • 4-(4-甲基苯基)-2,2:6,2-三吡啶
- 英文别名 -
  • 4'-(p-Tolyl)-2,2':6',2''-terpyridine
  • 4’-(4-methylphenyl)-2,2’:6’,2’’-terpyridine
  • 4'-(4-Methylphenyl)-2,2':6',2''-terpyridine
  • 4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine
  • 2-(6'-(pyridin-2''-yl)-4'-p-tolylpyridin-2'-yl)pyridine
  • 4'-(p-methylphenyl)-[2,2':6',2'']terpyridine
  • 4'-(4-Methylphenyl)-2,2'-6',2''-terpyridine
  • 4-(p-Tolyl)-2,2:6,2-terpyridine
  • C22H17N3
  • 4'-(4-Tolyl)-2,2':6',2''-terpyridine
  • 4943AC
  • TRA0068215
  • AK101338
  • AX8232877
  • ST50826601
  • 4-(4-methylphenyl)-2,6-di(2-pyridyl)pyridine
  • 972M770
  • 4′-(4-Methylphenyl)-2,2′:6′,2′′-terpyridine (ACI)
  • 4′-(4-Tolyl)-2,2′:6′,2′′-terpyridine
  • 4′-(p-Methylphenyl)-2,2′:6′,2′′-terpyridine
  • 4′-(p-Tolyl)-2,2′:6′,2′′-terpyridine
  • TTPY
物化性质
实验特性
LogP 5.18100
PSA 38.67000
折射率 1.622
沸点 484.6 °C at 760 mmHg
熔点 167-170 °C (lit.)
闪点 211.5 °C
密度 1.149
计算特性
精确分子量 323.14200
氢键供体数量 0
氢键受体数量 3
可旋转化学键数量 3
同位素质量 323.142
重原子数量 25
复杂度 378
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 4.1
互变异构体数量
表面电荷 0
拓扑分子极性表面积 38.7
海关数据
海关编码 2933399090
海关数据

中国海关编码:

2933399090

概述:

2933399090. 其他结构含非稠合吡啶环的化合物. 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:

2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. 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:
ZnII-2,2':6',2''-Terpyridine-Based Complex as Fluorescent Chemosensor for PPi, AMP and ADP
Das, Priyadip; Ghosh, Amrita; Kesharwani, Manoj K.; Ramu, Vadde; Ganguly, Bishwajit; et al, European Journal of Inorganic Chemistry, 2011, 2011(20), 3050-3058

合成路线:1 步

反应条件:
参考文献:
Synthesis, structures, and optical properties of two novel two-photon initiators derived from 2,2':6',2''-terpyridine
Hu, Zhang-Jun; Yang, Jia-Xiang; Tian, Yu-Peng; Tao, Xu-Tang; Tian, Lei; et al, Bulletin of the Chemical Society of Japan, 2007, 80(5), 986-993

合成路线:1 步

反应条件:
参考文献:
Synthesis of terpyridine derivatives containing β-cyclodextrin
Yin, Xian Hong, Chinese Chemical Letters, 2003, 14(5), 445-447

合成路线:1 步

反应条件:
参考文献:
Transition-Metal Chelates of Terpyridine-Fullerene/Nanotube Diads: Synthesis and Redox Properties
Wu, Zhen-Yi; Wang, Wei, Synthesis and Reactivity in Inorganic, 2016, 46(3), 428-436

合成路线:1 步

反应条件:
参考文献:
A Near-Infrared Neutral pH Fluorescent Probe for Monitoring Minor pH Changes: Imaging in Living HepG2 and HL-7702 Cells
Tang, Bo; Yu, Fabiao; Li, Ping; Tong, Lili; Duan, Xia; et al, Journal of the American Chemical Society, 2009, 131(8), 3016-3023

合成路线:1 步

反应条件:
参考文献:
An efficient improve for the Kroehnke reaction: One-pot synthesis of 2,4,6-triarylpyridines using raw materials under microwave irradiation
Tu, Shujiang; Li, Tuanjie; Shi, Feng; Fang, Fang; Zhu, Songlei; et al, Chemistry Letters, 2005, 34(5), 732-733

合成路线:1 步

反应条件:
参考文献:
Chromium(III) Bis-Arylterpyridyl Complexes with Enhanced Visible Absorption via Incorporation of Intraligand Charge-Transfer Transitions
Barbour, Johanna C.; Kim, Amy J. I.; deVries, Elsemarie; Shaner, Sarah E.; Lovaasen, Benjamin M., Inorganic Chemistry, 2017, 56(14), 8212-8222

合成路线:1 步

反应条件:
参考文献:
Mechanistic insights into CO2 conversion chemistry of copper bis-(terpyridine) molecular electrocatalyst using accessible operando spectrochemistry
Zhang, Huihui; Xu, Chang; Zhan, Xiaowen; Yu, Yu; Zhang, Kaifu; et al, Nature Communications, 2022, 13(1),

合成路线:1 步

反应条件:
参考文献:
A convenient one-pot synthesis of 4'-aryl-2,2':6',2''-terpyridines and 2,4,6-triarylpyridines under microwave irradiation
Tu, Shujiang; Li, Tuanjie; Shi, Feng; Wang, Qian; Zhang, Jinpeng; et al, Synthesis, 2005, (18), 3045-3050

合成路线:1 步

反应条件:
参考文献:
A Cu(II) MOF with a flexible bifunctionalised terpyridine as an efficient catalyst for the single-pot hydrocarboxylation of cyclohexane to carboxylic acid in water/ionic liquid medium
Paul, Anup; Ribeiro, Ana P. C.; Karmakar, Anirban; Guedes da Silva, M. Fatima C.; Pombeiro, Armando J. L., Dalton Transactions, 2016, 45(32), 12779-12789

合成路线:1 步

反应条件:
参考文献:
Zinc(II) terpyridine complexes: substituent effect on photoluminescence, antiproliferative activity, and DNA interaction
Li, Jiahe ; Liu, Rongping; Jiang, Jinzhang; Liang, Xing; Huang, Ling; et al, Molecules, 2019, 24(24),

合成路线:1 步

反应条件:
参考文献:
Terpyridine Chelate Complex-Functionalized Single-Walled Carbon Nanotubes: Synthesis and Redox Properties
Wu, Zhen-Yi; Wang, Wei, Fullerenes, 2015, 23(2), 131-141

合成路线:1 步

反应条件:
参考文献:
Condensation reactions of 2-acetylpyridine and benzaldehydes: new cyclohexanol products and an improved synthesis of 4'-p-tolyl-2,2':6',2''-terpyridine
Chamchoumis, Charles; Potvin, Pierre G., Journal of Chemical Research, 1998, (4), 180-181

合成路线:1 步

反应条件:
参考文献:
One-Pot Reactions for Modular Synthesis of Polysubstituted and Fused Pyridines
Song, Zhidong; Huang, Xin; Yi, Wenbin; Zhang, Wei, Organic Letters, 2016, 18(21), 5640-5643
相关文献
专业数据库参考
PubChemId 24873051
化合物详情(旧版)

SMILES

CC1=CC=C(C=C1)C2=CC(C3N=CC=CC=3)=NC(C4N=CC=CC=4)=C2

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