22341-17-9 ((8-Oxatricyclo[3.2.1.01,5]octane(8CI,9CI))

快速询单

结构式：

8-Oxatricyclo[3.2.1.01,5]octane(8CI,9CI)MOL文件

CAS号：

22341-17-9

英文名称：

8-Oxatricyclo[3.2.1.01,5]octane(8CI,9CI)

分子式：

C₇H₁₂O

分子量：

112.169582366943

8-Oxatricyclo[3.2.1.01,5]octane(8CI,9CI)(22341-17-9)名称与标识符

名称

英文别名：

8-Oxatricyclo[3.2.1.01,5]octane(8CI,9CI);AKOS024436666;8-Oxatricyclo[3,2,1,0(1,5)]octane;22341-17-9;8-Oxatricyclo(3,2,1,0(1,5))octane;8-oxabicyclo[3.2.1]octane;SCHEMBL2137252;DTXSID60276380;280-11-5;

标识符

InChIKey：

AWEGTPPFDJUPRI-UHFFFAOYSA-N

Inchi：

1S/C7H12O/c1-2-6-4-5-7(3-1)8-6/h6-7H,1-5H2

SMILES：

O1C2CCCC1CC2

8-Oxatricyclo[3.2.1.01,5]octane(8CI,9CI)(22341-17-9)物化性质

实验特性

PSA : 9.23

计算特性

精确分子量 : 112.08886
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 0
同位素质量 : 112.088815002g/mol
重原子数量 : 8
复杂度 : 80.4
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 : 2
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） : 1.5
拓扑分子极性表面积 : 9.2Å²

8-Oxatricyclo[3.2.1.01,5]octane(8CI,9CI)(22341-17-9)相关文献

1. Enantioselective alkylative double ring-opening of epoxides derived from cyclic allylic ethers: synthesis of enantioenriched unsaturated diols
David M. Hodgson,Matthew A. H. Stent,Bogdan ?tefane,Francis X. Wilson Org. Biomol. Chem. 2003 1 1139
2. Asymmetric syntheses of 8-oxabicyclo[3,2,1]octane and 11-oxatricyclo[5.3.1.0]undecane from glycals
Hongze Liao,Wei-Lin Leng,Kim Le Mai Hoang,Hui Yao,Jingxi He,Amanda Ying Hui Voo,Xue-Wei Liu Chem. Sci. 2017 8 6656
3. Improved synthesis of 8-oxabicyclo[3.2.1]octanes via tandem C–H oxidation/oxa-[3,3] Cope rearrangement/aldol cyclization
Lin Liu,Hai-Long Cheng,Wen-Qiang Ma,Si-Hua Hou,Yong-Qiang Tu,Fu-Min Zhang,Xiao-Ming Zhang,Shao-Hua Wang Chem. Commun. 2018 54 196
4. Enantioselective cycloaddition of carbonyl ylides with arylallenes using Rh2(S-TCPTTL)4
Janagiraman Krishnamurthi,Hisanori Nambu,Koji Takeda,Masahiro Anada,Akihito Yamano,Shunichi Hashimoto Org. Biomol. Chem. 2013 11 5374
5. Environmentally benign syntheses of hexahydro-cyclopenta(b)furan and 2-oxabicyclo[3.2.1]octane derivatives
Vijaykumar Gupta,Shilpi Kabiraj,Monica Rane,Sujata V. Bhat RSC Adv. 2015 5 22951
6. Synthesis and cytotoxicity of novel simplified eleutherobin analogues as potential antitumour agents
Sergey E. Sosonyuk,Anita Peshich,Anastasia V. Tutushkina,Dmitry A. Khlevin,Natalia A. Lozinskaya,Yulia A. Gracheva,Valeria A. Glazunova,Dmitry I. Osolodkin,Marina N. Semenova,Victor V. Semenov,Vladimir A. Palyulin,Marina V. Proskurnina,Alexander A. Shtil,Nikolay S. Zefirov Org. Biomol. Chem. 2019 17 2792
7. Application of [5+2] cycloaddition toward the functionalized bicyclo[4.3.1]decane ring system: synthetic study of phomoidride B (CP-263,114)
Naoki Ohmori J. Chem. Soc. Perkin Trans. 1 2002 755
8. First examples of Friedel–Crafts alkylation using ketals as alkylating agents: an expeditious access to the benzene-fused 8-oxabicyclo[3.2.1]octane ring system
Jun-Fa Fan,Yikang Wu,Yu-Lin Wu J. Chem. Soc. Perkin Trans. 1 1999 1189
9. Preparation and properties of some phytotoxic 2-benzyloxy-8-oxabicyclo[3.2.1]octane derivatives
Peter G. Sammes,Leslie J. Street,Peter Kirby J. Chem. Soc. Perkin Trans. 1 1983 2729
10. Carbo- and heterocyclisation of oxygen- and nitrogen-containing electrophiles by platinum, gold, silver and copper species
Arindam Das,Shariar Md. Abu Sohel,Rai-Shung Liu Org. Biomol. Chem. 2010 8 960

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