4198-93-0 (氢过氧化三苯,trityl hydroperoxide)

快速询单

结构式：

氢过氧化三苯MOL文件

CAS号：

4198-93-0

中文名称：

氢过氧化三苯

英文名称：

trityl hydroperoxide

分子式：

C₁₉H₁₆O₂

分子量：

276.329145431519

氢过氧化三苯(4198-93-0)名称与标识符

名称

英文别名：

trityl hydroperoxide;[hydroperoxy(diphenyl)methyl]benzene;hydroperoxide, triphenylmethyl;DTXSID60194792;NSC25440;triphenylmethyl hydroperoxide;NSC-25440;NSC 25440;Tritylhydroperoxide;SCHEMBL297104;4198-93-0;NS00122253;

标识符

InChIKey：

ILNQBWPWHQSSNX-UHFFFAOYSA-N

Inchi：

1S/C19H16O2/c20-21-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H

SMILES：

O(C(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)O

氢过氧化三苯(4198-93-0)物化性质

实验特性

PSA : 29.46

计算特性

精确分子量 : 276.11508
氢键供体数量 : 1
氢键受体数量 : 2
可旋转化学键数量 : 4
同位素质量 : 276.115029749g/mol
重原子数量 : 21
复杂度 : 251
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） : 3.7
拓扑分子极性表面积 : 29.5Å²

氢过氧化三苯(4198-93-0)相关文献

1. The reaction of triphenylmethyl halides with tributylphosphine and tributylamine in apolar solvents
Péter Huszthy,Gy?ngyi Izsó(née Gergácz),Károly Lempert,Mária Kajtár-Peredy,Miklós Gy?r,Antal Rockenbauer,József Tamás J. Chem. Soc. Perkin Trans. 2 1989 1513
2. 638. Alkylperoxy-radicals. Part I. Reactions with 2: 4: 6-trialkylphenols
A. F. Bickel,E. C. Kooyman J. Chem. Soc. 1953 3211
3. Stereoselective syntheses of protected β-hydroxy-α-amino acids using (arylthio)nitrooxiranes
Zoe M. Adams,Richard F. W. Jackson,Nicholas J. Palmer,Harshad K. Rami,Martin J. Wythes J. Chem. Soc. Perkin Trans. 1 1999 937
4. Stereoselective syntheses of protected β-hydroxy-α-amino acids using (arylthio)nitrooxiranes
Zoe M. Adams,Richard F. W. Jackson,Nicholas J. Palmer,Harshad K. Rami,Martin J. Wythes J. Chem. Soc. Perkin Trans. 1 1999 937
5. Aluminum derivative peroxides in the (t-BuO)3Al–2t-BuOOH catalytic system as a source of electron-excited dioxygen: a quantum chemical study on a model
Oleg B. Gadzhiev,Victor A. Dodonov,Alexander I. Petrov RSC Adv. 2016 6 95542
6. Structure, synthesis, biosynthesis, and activity of the characteristic compounds from Ginkgo biloba L.
Xin-Guang Liu,Xu Lu,Wen Gao,Ping Li,Hua Yang Nat. Prod. Rep. 2022 39 474
7. Cyclohexane oxidation over AFI molecular sieves: effects of Cr, Co incorporation and crystal size
Decheng Liu,Baoquan Zhang,Xiufeng Liu,Jian Li Catal. Sci. Technol. 2015 5 3394
8. Coordination frameworks containing compounds as catalysts
Girijesh Kumar,Samar K. Das Inorg. Chem. Front. 2017 4 202
9. Saturated oxygen heterocycles
Mark C. Elliott J. Chem. Soc. Perkin Trans. 1 2000 1291
10. Stereoselective synthesis of 2,3-difunctionalised thioesters using nucleophilic epoxidation of 1-arylthio-1-nitroalkenes
Lyndsay Ann Evans,Harry Adams,Christopher G. Barber,Lorenzo Caggiano,Richard F. W. Jackson Org. Biomol. Chem. 2007 5 3156