3,3-二甲基-1-(三氟甲基)-1,2-苯并碘氧杂戊环 | 887144-97-0
3,3-二甲基-1-(三氟甲基)-1,2-苯并碘氧杂戊环
Togni’s Reagent
887144-97-0
C10H10F3IO
330.085485935211
名称和标识符
MDL |
MFCD10567056 |
InChIKey |
HVAPLSNCVYXFDQ-UHFFFAOYSA-N |
Inchi |
1S/C10H10F3IO/c1-9(2)7-5-3-4-6-8(7)14(15-9)10(11,12)13/h3-6H,1-2H3 |
SMILES |
FC(I1C2C(=CC=CC=2)C(C)(C)O1)(F)F |
别名信息
- 中文别名 -
- 3,3-二甲基-1-(三氟甲基)-1,2-苯并碘氧杂戊环
- 1-(三氟甲基)-3,3-二甲基-1,2-苯并碘氧杂戊环
- 1-Trifluoromethyl-3,3-dimethyl-1,2-benziodoxole 1-(三氟甲基)-3,3-二甲基-1,2-苯并碘氧杂戊环
- 1-三氟甲基-3,3-二甲基-1,2-苯并碘氧杂戊环
- 1,3-二氢-3,3-二甲基-1-(三氟甲基)-1,2-苯并碘氧杂戊环
- 英文别名 -
- 3,3-Dimethyl-1-(trifluoromethyl)-1,2-benziodoxole
- Togni's Reagent
- 1-Trifluoromethyl-3,3-dimethyl-1,2-benziodoxole
- 1,3-Dihydro-3,3-dimethyl-1-(trifluoromethyl)-1,2-benziodoxole
- 1,3-Dihydro-3,3-dimethyl-1-(trifluoromethyl)-1,2-benziodoxole, Tognis Reagent
- 3,3-dimethyl-1-(trifluoromethyl)-1λ<sup>3</sup>,2-benziodoxole
- Togni Reagent
- Togni’s Reagent
- 1,2-Benziodoxole, 3,3-dimethyl-1-(trifluoromethyl)-
- 3OK0E02MT6
- compound 1, Togni reagent I
- 3,3-dimethyl-1-(trifluoromethyl)-1,3-dihydro-1lambda3,2-benziodoxole
- 3,3-Dimethyl-1-(trifluoromethyl)-1,3-dihydro-1lambda~3~,2-benziodox
- 3,3-Dimethyl-1-(trifluoromethyl)-1,2-benziodoxole (ACI)
- 3,3-Dimethyl-1-trifluoromethyl-1,2-benzoiodoxole
- Togni reagent
- Togni's reagent
物化性质
实验特性
LogP |
4.06270 |
PSA |
9.23000 |
熔点 |
75-79 °C |
颜色与性状 |
白色-极淡黄色晶体粉末 |
计算特性
精确分子量 |
329.97300 |
氢键供体数量 |
0 |
氢键受体数量 |
4 |
可旋转化学键数量 |
0 |
重原子数量 |
15 |
复杂度 |
252 |
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) |
4 |
互变异构体数量 |
无 |
表面电荷 |
0 |
拓扑分子极性表面积 |
9.2 |
相关文献
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1.
5-Position-selective C–H trifluoromethylation of 8-aminoquinoline derivatives
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2.
A four-component radical cascade trifluoromethylation reaction of alkenes enabled by an electron-donor–acceptor complex
Hai-Yong Tu,Shengqing Zhu,Feng-Ling Qing,Lingling Chu Chem. Commun. 2018 54 12710
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3.
Organic thermally activated delayed fluorescence (TADF) compounds used in photocatalysis
Megan Amy Bryden,Eli Zysman-Colman Chem. Soc. Rev. 2021 50 7587
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4.
Organic thermally activated delayed fluorescence (TADF) compounds used in photocatalysis
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5.
Enantioselective organocatalysis using SOMO activation
Mária Me?iarová,Pavol Tisovsky,Radovan ?ebesta New J. Chem. 2016 40 4855
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6.
An efficient metal-free desulfurization strategy promoted by Togni-II reagent
Jun Zhang,Haiyun Liu,Shuang Teng,Zhiwen Liao,Lingkui Meng,Qian Wan,Suwei Dong Chem. Commun. 2023 59 6513
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7.
Recent advances in transition-metal-free trifluoromethylation with Togni's reagents
Jin-Yang Chen,Jing Huang,Kai Sun,Wei-Min He Org. Chem. Front. 2022 9 1152
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8.
Access to a new class of synthetic building blocks via trifluoromethoxylation of pyridines and pyrimidines
Pengju Feng,Katarzyna N. Lee,Johnny W. Lee,Chengbo Zhan,Ming-Yu Ngai Chem. Sci. 2016 7 424
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9.
Recent advances in photoinduced trifluoromethylation and difluoroalkylation
Xiaolin Pan,Hongguang Xia,Jie Wu Org. Chem. Front. 2016 3 1163
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10.
Direct vicinal difunctionalization of alkynes through trifluoromethylation and aminosulfonylation via insertion of sulfur dioxide under catalyst-free conditions
Yuewen Li,Yuanchao Xiang,Zhiming Li,Jie Wu Org. Chem. Front. 2016 3 1493
参考资料
Reaxys RN |
10663510 |
Beilstein |
T162595 |