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7654-06-0 ((3-phenyl-2H-azirene)

结构式：

3-phenyl-2H-azirene结构式图片|7654-06-0结构式图片

3-phenyl-2H-azireneMOL文件

CAS号：

7654-06-0

英文名称：

3-phenyl-2H-azirene

分子式：

C₈H₇N

分子量：

117.147881746292

3-phenyl-2H-azirene(7654-06-0)名称与标识符

名称

英文别名：

3-phenyl-2H-azirene;3-Phenyl-2H-azirine;2H-3-phenylazirine;2H-Azirine,3-phenyl;2-Phenyl-1-azirine;2-phenyl-3H-azirine;2-phenylazamethylcyclopropene;2-Phenylazirine;3-phenyl-2H-azirane;3-phenylazirine;SCHEMBL1068403;InChI=1/C8H7N/c1-2-4-7(5-3-1)8-6-9-8/h1-5H,6H;2H-Azirine, 3-phenyl-;NSC123045;7654-06-0;MFCD30337159;DTXSID00298425;SY310412;EN300-187632;NSC-123045;

标识符

InChIKey：

GLWWLZNPPPOICI-UHFFFAOYSA-N

Inchi：

1S/C8H7N/c1-2-4-7(5-3-1)8-6-9-8/h1-5H,6H2

SMILES：

N1CC=1C1C=CC=CC=1

3-phenyl-2H-azirene(7654-06-0)物化性质

实验特性

LogP : 0.92490
PSA : 12.36000

计算特性

精确分子量 : 117.05800
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 1
同位素质量 : 117.057849228g/mol
重原子数量 : 9
复杂度 : 132
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） : 1.6
拓扑分子极性表面积 : 12.4Å²

3-phenyl-2H-azirene(7654-06-0)上下游

2-苯乙烯基吲哚 2,2-Difluoro-2-phenylethanamine 苯乙酮

3-phenyl-2H-azirene(7654-06-0)相关文献

1. Facile access to 2-acyloxy-, aryloxy- and alkenyloxy-2H-azirines via an SN2′–SN2′ cascade in 2-halo-2H-azirines
Nikolai V. Rostovskii,Ilia A. Smetanin,Anastasiya V. Agafonova,Pavel A. Sakharov,Julia O. Ruvinskaya,Alexander F. Khlebnikov,Mikhail S. Novikov Org. Biomol. Chem. 2018 16 3248
2. Azirine-containing dipeptides and depsipeptides: synthesis, transformations and antibacterial activity
Nikolai V. Rostovskii,Alexander N. Koronatov,Pavel A. Sakharov,Anastasiya V. Agafonova,Mikhail S. Novikov,Alexander F. Khlebnikov,Elizaveta V. Rogacheva,Liudmila A. Kraeva Org. Biomol. Chem. 2020 18 9448
3. A simple approach to pyrrolylimidazole derivatives by azirine ring expansion with imidazolium ylides
Alexander F. Khlebnikov,Olesya A. Tomashenko,Liya D. Funt,Mikhail S. Novikov Org. Biomol. Chem. 2014 12 6598
4. Studies on heterocyclic chemistry. Part XIII. Cleavage of 5-benzyl-amino-oxazoles, photoproducts of N-benzyl-2H-azirine-2-carboxamides, by dialkyl phosphite
Tarozaemon Nishiwaki,Fusako Fujiyama J. Chem. Soc. Perkin Trans. 1 1972 1456
5. Photorearrangements of phenyloxazoles
Minoru Maeda,Masaharu Kojima J. Chem. Soc. Perkin Trans. 1 1977 239
6. Organocatalyzed nucleophilic addition of pyrazoles to 2H-azirines: asymmetric synthesis of 3,3-disubstituted aziridines and kinetic resolution of racemic 2H-azirines
Dong An,Xukai Guan,Rui Guan,Lajiao Jin,Guangliang Zhang,Suoqin Zhang Chem. Commun. 2016 52 11211
7. A NIR BODIPY dye bearing 3,4,4a-trihydroxanthene moieties
Xin-Dong Jiang,Ruina Gao,Yi Yue,Guo-Tao Sun,Weili Zhao Org. Biomol. Chem. 2012 10 6861
8. A styryl-containing aza-BODIPY as a near-infrared dye
Xin-Dong Jiang,Dongmei Xi,Jiuli Zhao,Haifeng Yu,Guo-Tao Sun,Lin-Jiu Xiao RSC Adv. 2014 4 60970
9. α-Substituted vinyl azides: an emerging functionalized alkene
Junkai Fu,Giuseppe Zanoni,Edward A. Anderson,Xihe Bi Chem. Soc. Rev. 2017 46 7208
10. Studies on heterocyclic chemistry. Part VII. Thermally induced dimerization of 5-aminoisoxazoles and 2H-azirines and photochemistry of 5-aminoisoxazoles
T. Nishiwaki,A. Nakano,H. Matsuoka J. Chem. Soc. C 1970 1825

目录

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