67285-12-5 (3H-吲哚-3-酮,3H-Indol-3-one)

快速询单

结构式：

3H-吲哚-3-酮MOL文件

CAS号：

67285-12-5

中文名称：

3H-吲哚-3-酮

英文名称：

3H-Indol-3-one

分子式：

C₈H₅NO

分子量：

131.131401777267

3H-吲哚-3-酮(67285-12-5)名称与标识符

名称

英文别名：

3H-Indol-3-one;indol-3-one;CHEBI:51629;Q27122691;DTXSID901317241;SCHEMBL7207737;67285-12-5;SCHEMBL1497963;

标识符

InChIKey：

FGFUBBNNYLNVLJ-UHFFFAOYSA-N

Inchi：

1S/C8H5NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5H

SMILES：

O=C1C=NC2C=CC=CC=21

3H-吲哚-3-酮(67285-12-5)物化性质

实验特性

PSA : 29.96

计算特性

精确分子量 : 131.03715
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 0
同位素质量 : 131.037113783g/mol
重原子数量 : 10
复杂度 : 186
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） : 1
拓扑分子极性表面积 : 29.4Å²

3H-吲哚-3-酮(67285-12-5)相关文献

1. Michael additions of 1,2-dihydro-3H-indol-3-ones and some reactions of Michael adducts with ammonium acetate
Tomomi Kawasaki,Chen-Ying Tang,Hiroyuki Nakanishi,Shuiti Hirai,Tomohisa Ohshita,Mami Tanizawa,Motomu Himori,Hiroshi Satoh,Masanori Sakamoto,Keiko Miura,Fumio Nakano J. Chem. Soc. Perkin Trans. 1 1999 327
2. Organocatalytic asymmetric synthesis of arylindolyl indolin-3-ones with both axial and central chirality
Xi Yuan,Xudong Wu,Fei Peng,Haijun Yang,Changjin Zhu,Hua Fu Chem. Commun. 2020 56 12648
3. 2,2-Disubstituted-1,2-dihydro-3H-indol-3-ones by base- and thermal-induced cyclisations of o-azidophenyl s-alkyl ketones and o-azidobenzoyl esters
Manouchehr Azadi-Ardakani,Mohamed A. Alkhader,John H. Lippiatt,Dalpat I. Patel,Robert K. Smalley,Susan Higson J. Chem. Soc. Perkin Trans. 1 1986 1107
4. Synthesis of C2-tetrasubstituted indolin-3-ones via Cu-catalyzed oxidative dimerization of 2-aryl indoles and cross-addition with indoles
Anoop Singh,Satheeshvarma Vanaparthi,Sachin Choudhary,Rangan Krishnan,Indresh Kumar RSC Adv. 2019 9 24050
5. Chiral phosphoric acid-catalyzed enantioselective aza-Friedel–Crafts reaction of naphthols and electron-rich phenols with 2-aryl-3H-indol-3-ones
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6. A solid-supported organocatalyst for asymmetric Mannich reaction to construct C2-quaternary indolin-3-ones
Jian-Xiong An,Fen-Fen Yang,Pan Wang,Zhi-Cheng Gu,Yan Li,Lei Chen,Yong-Long Zhao,Bin He RSC Adv. 2022 12 7040
7. B(C6F5)3-catalyzed β-C(sp3)–H alkylation of tertiary amines with 2-aryl-3H-indol-3-ones
Chang-Peng Zou,Tao Ma,Xiu-Xiu Qiao,Xi-Xi Wu,Ganpeng Li,Yonghui He,Xiao-Jing Zhao Org. Biomol. Chem. 2023 21 4393
8. Isatin chloride: a phantom. Reactions of 2-(2,2-dichloro-2,3-dihydro-3-oxoindol-1-yl)-3H-indol-3-one
John Cornforth,Peter B. Hitchcock,Panteleimon Rozos J. Chem. Soc. Perkin Trans. 1 1996 2787
9. Enantioselective aza-Henry reactions of cyclic α-carbonyl ketimines under bifunctional catalysis
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