83420-57-9 (4-(4-乙炔基苯基)-吡啶,4-(4-Ethynylphenyl)pyridine)

快速询单

结构式：

4-(4-乙炔基苯基)-吡啶MOL文件

CAS号：

83420-57-9

中文名称：

4-(4-乙炔基苯基)-吡啶

英文名称：

4-(4-Ethynylphenyl)pyridine

分子式：

C₁₃H₉N

分子量：

179.217262983322

4-(4-乙炔基苯基)-吡啶(83420-57-9)名称与标识符

名称

中文别名：

4-(4-ETHYNYLPHENYL)PYRIDINE;4-(4-乙炔基苯基)吡啶;

英文别名：

4-(4-ethynylphenyl)pyridine;Pyridine, 4-(4-ethynylphenyl)-;4-(4-Ethynylphenyl)pyridine (ACI);SCHEMBL140223;AS-84855;AKOS040815740;CS-0147311;E81911;F2167-5104;83420-57-9;A1-27635;

标识符

MDL：

MFCD30484439

InChIKey：

SRTDAMGILHTMNG-UHFFFAOYSA-N

Inchi：

1S/C13H9N/c1-2-11-3-5-12(6-4-11)13-7-9-14-10-8-13/h1,3-10H

SMILES：

C#CC1C=CC(C2C=CN=CC=2)=CC=1

4-(4-乙炔基苯基)-吡啶(83420-57-9)物化性质

计算特性

精确分子量 : 179.073499291g/mol
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 : 179.073499291g/mol
重原子数量 : 14
复杂度 : 211
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） : 2.8
拓扑分子极性表面积 : 12.9

4-(4-乙炔基苯基)-吡啶(83420-57-9)推荐厂家更多厂家(7)

公司名称	手机号/电话	联系人	QQ	询单
北京百灵威科技有限公司	18210857532	翟先生	3650742139	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
JACS-郑州杰克斯化工产品有限公司	15981966935 0371-86259281	杰克斯JACS	893596907	询单
江苏艾康生物医药研发有限公司	18795912720 025-66061636	杨情情	3004779232	询单
上海吉至生化科技有限公司	18117592386 021-57481218	吉至试剂	3007522982	询单
上海吉至生化科技有限公司	18117592386 021-57481218	吉至试剂	3007522982	询单
上海腾骞生物科技有限公司	13681616114 021-50895067	段小姐	2840939080	询单

4-(4-乙炔基苯基)-吡啶(83420-57-9)合成路线

合成路线：1 步

2086281-70-9

_99%

83420-57-9

反应条件：

1.1 Reagents: Potassium carbonate Solvents: Methanol ; 4 h, rt

参考文献：

Investigation of 4-pyridyl liquid crystals on the photovoltaic performance and stability of dye sensitized solar cells by the co-sensitization

Chen, Ran; et al, Dyes and Pigments, 2018, 159, 527-532

合成路线：1 步

2086281-70-9

_99%

83420-57-9

反应条件：

1.1 Reagents: Potassium carbonate Solvents: Methanol ; 4 h, 25 °C

参考文献：

The effect of phenyl ring on the physical properties of liquid crystals containing 4-pyridyl terminal group

Chen, Ran; et al, Liquid Crystals, 2018, 45(12), 1825-1833

合成路线：1 步

2086281-70-9

_88%

83420-57-9

反应条件：

1.1 Catalysts: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran , Water ; 0 °C; 3 h, rt

参考文献：

Cavitand-Based Pd-Pyridyl Coordination Capsules: Guest-Induced Homo- or Heterocapsule Selection and Applications of Homocapsules to the Protection of a Photosensitive Guest and Chiral Capsule Formation

Nakamura, Munechika; et al, Chemistry - An Asian Journal, 2020, 15(14), 2218-2230

合成路线：1 步

99163-12-9

90965-06-3

_89%

83420-57-9

反应条件：

1.1 Reagents: Potassium carbonate Solvents: Methanol ; 24 h, rt

参考文献：

Synthesis and structure-activity relationship of histone deacetylase (HDAC) inhibitors with triazole-linked cap group

Chen, Po C.; et al, Bioorganic & Medicinal Chemistry, 2008, 16(9), 4839-4853

合成路线：1 步

99163-12-9

90965-06-3

_89%

83420-57-9

反应条件：

1.1 Reagents: Potassium carbonate Solvents: Methanol ; 24 h, rt

参考文献：

Direct diazo-transfer reaction on β-lactam: Synthesis and preliminary biological activities of 6-triazolylpenicillanic acids

Chen, Po C.; et al, Bioorganic & Medicinal Chemistry, 2007, 15(23), 7288-7300

合成路线：1 步

2983176-73-2

_51%

83420-57-9

反应条件：

1.1 Reagents: Potassium ethylxanthate , Ammonium iodide Solvents: Dimethyl sulfoxide ; 8 h, 130 °C

参考文献：

Aromatization of cyclic hydrocarbons via thioether elimination reaction

Liu, Yang; et al, Chemical Communications (Cambridge, 2023, 59(75), 11232-11235

合成路线：2 步

39795-60-3

1066-54-2

83420-57-9

反应条件：

1.1 Reagents: Triethylamine Catalysts: Cuprous iodide , Dichlorobis(triphenylphosphine)palladium Solvents: Tetrahydrofuran ; 1 h, rt; 12 h, 60 °C
2.1 Catalysts: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran , Water ; 0 °C; 3 h, rt

参考文献：

Nakamura, Munechika; et al, Chemistry - An Asian Journal, 2020, 15(14), 2218-2230

合成路线：2 步

39795-60-3

1066-54-2

83420-57-9

反应条件：

1.1 Reagents: Triethylamine , Triphenylphosphine Catalysts: Cuprous iodide , Tetrakis(triphenylphosphine)palladium Solvents: Dimethylformamide ; rt; 8 h, 60 °C
2.1 Reagents: Potassium carbonate Solvents: Methanol ; 4 h, rt

参考文献：

Investigation of 4-pyridyl liquid crystals on the photovoltaic performance and stability of dye sensitized solar cells by the co-sensitization

Chen, Ran; et al, Dyes and Pigments, 2018, 159, 527-532

合成路线：2 步

39795-60-3

1066-54-2

83420-57-9

反应条件：

1.1 Reagents: Triethylamine Catalysts: Triphenylphosphine , Cuprous iodide , Tetrakis(triphenylphosphine)palladium Solvents: Tetrahydrofuran ; 8 h, 60 °C
2.1 Reagents: Potassium carbonate Solvents: Methanol ; 4 h, 25 °C

参考文献：

The effect of phenyl ring on the physical properties of liquid crystals containing 4-pyridyl terminal group

Chen, Ran; et al, Liquid Crystals, 2018, 45(12), 1825-1833

合成路线：2 步

83420-59-1

1066-54-2

83420-57-9

反应条件：

1.1 -
2.1 Reagents: Potassium carbonate

参考文献：

Tertiary Amines Acting as Alkyl Radical Equivalents Enabled by a P/N Heteroleptic Cu(I) Photosensitizer

Zheng, Limeng; et al, Organic Letters, 2020, 22(22), 8888-8893

合成路线：2 步

83420-59-1

1066-54-2

83420-57-9

参考文献：

P/N Heteroleptic Cu(I)-Photosensitizer-Catalyzed Deoxygenative Radical Alkylation of Aromatic Alkynes with Alkyl Aldehydes Using Dipropylamine as a Traceless Linker Agent

Bao, Hanyang; et al, ACS Catalysis, 2020, 10(14), 7563-7572

合成路线：3 步

1692-15-5

589-87-7

83420-57-9

反应条件：

1.1 Reagents: Potassium carbonate Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: Dimethylformamide , Water ; 15 h, 60 °C
2.1 Reagents: Triethylamine , Triphenylphosphine Catalysts: Cuprous iodide , Tetrakis(triphenylphosphine)palladium Solvents: Dimethylformamide ; rt; 8 h, 60 °C
3.1 Reagents: Potassium carbonate Solvents: Methanol ; 4 h, rt

参考文献：

Investigation of 4-pyridyl liquid crystals on the photovoltaic performance and stability of dye sensitized solar cells by the co-sensitization

Chen, Ran; et al, Dyes and Pigments, 2018, 159, 527-532

合成路线：3 步

1692-15-5

589-87-7

83420-57-9

反应条件：

1.1 Reagents: Potassium carbonate Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: Dimethylformamide , Water ; 15 h, 60 °C
2.1 Reagents: Triethylamine Catalysts: Triphenylphosphine , Cuprous iodide , Tetrakis(triphenylphosphine)palladium Solvents: Tetrahydrofuran ; 8 h, 60 °C
3.1 Reagents: Potassium carbonate Solvents: Methanol ; 4 h, 25 °C

参考文献：

The effect of phenyl ring on the physical properties of liquid crystals containing 4-pyridyl terminal group

Chen, Ran; et al, Liquid Crystals, 2018, 45(12), 1825-1833

合成路线：3 步

1692-15-5

589-87-7

83420-57-9

反应条件：

1.1 Reagents: Tripotassium phosphate Solvents: Dimethylformamide ; 15 min, rt
1.2 Catalysts: Tetrakis(triphenylphosphine)palladium ; overnight, 100 °C; 100 °C → rt
2.1 Reagents: Triethylamine Catalysts: Cuprous iodide Solvents: Tetrahydrofuran ; 15 min, rt
2.2 Catalysts: Dichlorobis(triphenylphosphine)palladium ; overnight, 50 °C
3.1 Reagents: Potassium hydroxide Solvents: Methanol , Dichloromethane , Water ; 3 h, rt

参考文献：

Self-Assembling Molecular Capsules Based on α,γ-Cyclic Peptides

Ozores, Haxel Lionel; et al, Journal of the American Chemical Society, 2017, 139(2), 776-784