89076-64-2 (5-硝基-2-苯基吡啶,5-Nitro-2-phenylpyridine)

CAS号:
89076-64-2
中文名称:
5-硝基-2-苯基吡啶
英文名称:
5-Nitro-2-phenylpyridine
分子式:
C11H8N2O2
分子量:
200.193422317505

5-硝基-2-苯基吡啶(89076-64-2)名称与标识符

名称

中文别名:
5-硝基-2-苯基吡啶;
英文别名:
5-Nitro-2-phenylpyridine;3-Nitro-6-phenylpridine;Pyridine,5-nitro-2-phenyl-;2-phenyl-5-nitropyridine;3-Nitro-6-phenylpyridine;5-nitro-2-phenyl-pyridine;nitrophenylpyridine;Pyridine,5-nitro-2-phenyl;5-Nitro-2-phenylpyridine (ACI);SB55330;DTXSID00376530;MFCD04114193;CS-0131936;(5-Nitropyridin-2-yl)benzene;SCHEMBL71038;WJOAJTWVYTULDB-UHFFFAOYSA-N;J-517870;3Y-0717;89076-64-2;DB-078298;AKOS005070371;

标识符

MDL:
MFCD04114193
InChIKey:
WJOAJTWVYTULDB-UHFFFAOYSA-N
Inchi:
1S/C11H8N2O2/c14-13(15)10-6-7-11(12-8-10)9-4-2-1-3-5-9/h1-8H
SMILES:
N(=O)(=O)C1C=NC(C2C=CC=CC=2)=CC=1

5-硝基-2-苯基吡啶(89076-64-2)物化性质

实验特性

  • LogP : 3.18000
  • PSA : 58.71000
  • 熔点 : 116-118°

计算特性

  • 精确分子量 : 200.05900
  • 氢键供体数量 : 0
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 2
  • 同位素质量 : 200.058577502g/mol
  • 重原子数量 : 15
  • 复杂度 : 221
  • 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) : 2.3
  • 拓扑分子极性表面积 : 58.7Ų

5-硝基-2-苯基吡啶(89076-64-2)安全信息

5-硝基-2-苯基吡啶(89076-64-2)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%

5-硝基-2-苯基吡啶(89076-64-2)推荐厂家 更多厂家(8)

5-硝基-2-苯基吡啶(89076-64-2)合成路线

合成路线:1 步
反应条件:
参考文献:
A new tetraphosphine and its application in Pd-catalyzed Suzuki cross-coupling reaction
Zhang, Yu; Yi, Tao; Wang, Kun; Fu, Haiyan; Chen, Hua; et al, Youji Huaxue, 2012, 32(4), 790-793
合成路线:1 步
反应条件:
参考文献:
A General and Highly Efficient Method for the Construction of Aryl-Substituted N-Heteroarenes
Liu, Chun; Han, Na; Song, Xiaoxiao; Qiu, Jieshan, European Journal of Organic Chemistry, 2010, (29), 5548-5551
合成路线:1 步
反应条件:
参考文献:
Method for preparing aryl aza-aromatic cycle compounds in alcohol solvent via Suzuki reaction
, China, , ,
合成路线:1 步
反应条件:
参考文献:
The palladium-catalyzed Suzuki coupling of 2- and 4-chloropyridines
Lohse, Olivier; Thevenin, Philippe; Waldvogel, Erwin, Synlett, 1999, (1), 45-48
合成路线:1 步
反应条件:
参考文献:
Ni/Pd core/shell nanoparticles supported on graphene as a highly active and reusable catalyst for Suzuki-Miyaura cross-coupling reaction
Metin, Oender; Ho, Sally Fae; Alp, Cemalettin; Can, Hasan; Mankin, Max N.; et al, Nano Research, 2013, 6(1), 10-18
合成路线:1 步
反应条件:
参考文献:
Cross-Coupling in the Preparation of Pharmaceutically Relevant Substrates using Palladium Supported on Functionalized Mesoporous Silicas
El Kadib, Abdelkrim; McEleney, Kevin; Seki, Tomohiro; Wood, Thomas K.; Crudden, Cathleen M., ChemCatChem, 2011, 3(8), 1281-1285
合成路线:1 步
反应条件:
参考文献:
Substituent Diversity-directed Synthesis of Nitropyridines and Nitroanilines by Three-component Ring Transformation
Asahara, Haruyasu, Procedia Engineering, 2017, 174, 1046-1057
合成路线:1 步
反应条件:
参考文献:
Synthesis of 2-Aryl-5-Nitropyridines by Three-Component Ring Transformation of 3,5-Dinitro-2-Pyridone
Le, Song Thi; Asahara, Haruyasu; Kobiro, Kazuya; Sugimoto, Ryuichi; Saigo, Kazuhiko; et al, Asian Journal of Organic Chemistry, 2014, 3(3), 297-302
合成路线:1 步
反应条件:
参考文献:
Triarylbismuthanes as Threefold Aryl-Transfer Reagents in Regioselective Cross-Coupling Reactions with Bromopyridines and Quinolines
Rao, Maddali L. N.; Dhanorkar, Ritesh J., European Journal of Organic Chemistry, 2014, 2014(24), 5214-5228
合成路线:1 步
反应条件:
参考文献:
Nucleophilic reaction upon electron-deficient pyridone derivatives. X. One-pot synthesis of 3-nitropyridines by ring transformation of 1-methyl-3,5-dinitro-2-pyridone with ketones or aldehydes in the presence of ammonia
Tohda, Yasuo; Eiraku, Miyuki; Nakagawa, Takao; Usami, Yumi; Ariga, Masahiro; et al, Bulletin of the Chemical Society of Japan, 1990, 63(10), 2820-7
合成路线:1 步
反应条件:
参考文献:
Palladium Charcoal-Catalyzed Suzuki-Miyaura Coupling to Obtain Arylpyridines and Arylquinolines
Tagata, Tsuyoshi; Nishida, Mayumi, Journal of Organic Chemistry, 2003, 68(24), 9412-9415
合成路线:1 步
反应条件:
参考文献:
Suzuki-Miyaura Cross-Couplings under Acidic Conditions
Pruschinski, Lucas; Luecke, Ana-Luiza; Freese, Tyll; Kahnert, Sean-Ray; Mummel, Sebastian; et al, Synthesis, 2020, 52(6), 882-892
合成路线:1 步
反应条件:
参考文献:
A Zwitterionic Palladium(II) Complex as a Precatalyst for Neat-Water-Mediated Cross-Coupling Reactions of Heteroaryl, Benzyl, and Aryl Acid Chlorides with Organoboron Reagents
Ramakrishna, Visannagari; Rani, Morla Jhansi; Reddy, Nareddula Dastagiri, European Journal of Organic Chemistry, 2017, 2017(48), 7238-7255
合成路线:1 步
反应条件:
参考文献:
Palladium(II) catalyzed Suzuki/Sonogashira cross-coupling reactions of sulfonates: an efficient approach to C2-functionalized pyrimidines and pyridines
Quan, Zheng-Jun; Jing, Fu-Qiang; Zhang, Zhang; Da, Yu-Xia; Wang, Xi-Cun, European Journal of Organic Chemistry, 2013, 2013(31), 7175-7183
合成路线:1 步
反应条件:
参考文献:
Recyclable palladium catalyst on graphene oxide for the C-C/C-N cross-coupling reactions of heteroaromatic sulfonates
Yang, Quanlu; Quan, Zhengjun; Wu, Shang; Du, Baoxin; Wang, Mingming; et al, Tetrahedron, 2015, 71(36), 6124-6134

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