2443-46-1 (双环[4.4.1]十一碳-1(10),2,4,6,8-五烯,Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene)

快速询单

结构式：

双环[4.4.1]十一碳-1(10),2,4,6,8-五烯MOL文件

CAS号：

2443-46-1

中文名称：

双环[4.4.1]十一碳-1(10),2,4,6,8-五烯

英文名称：

Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene

分子式：

C₁₁H₁₀

分子量：

142.197103023529

双环[4.4.1]十一碳-1(10),2,4,6,8-五烯(2443-46-1)名称与标识符

名称

中文别名：

双环[4.4.1]十一碳-1(10),2,4,6,8-五烯;

英文别名：

Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene;1,6-Methano[10]annulene;FT-0653011;1,6-Methano-1,3,5,7,9-cyclodecapentaene;OORRQYZWSVJKSO-UHFFFAOYSA-N;bicyclo[4.4.1]undeca-1,3,5,7,9-pentaen;Bicyclo[4.4.1]undecapentaene;AKOS004907694;2-METHYLPHENETHYLALCOHOL;Bicyclo(4.4.1)undeca-1,3,5,7,9-pentaene;2443-46-1;Q21099670;1,6-METHANO(10)ANNULENE;DTXSID40179188;InChI=1/C11H10/c1-2-6-11-8-4-3-7-10(5-1)9-11/h1-8H,9H;A817302;HMG3LPN8YP;UNII-HMG3LPN8YP;AKOS004907007;

标识符

InChIKey：

OORRQYZWSVJKSO-UHFFFAOYSA-N

Inchi：

1S/C11H10/c1-2-6-11-8-4-3-7-10(5-1)9-11/h1-8H,9H2

SMILES：

C1C2C=CC=CC1=CC=CC=2

双环[4.4.1]十一碳-1(10),2,4,6,8-五烯(2443-46-1)物化性质

实验特性

PSA : 0
折射率 : 1.605
沸点 : 324.9°Cat760mmHg
闪点 : 116.2°C
密度 : 1.02

计算特性

精确分子量 : 142.0783
氢键供体数量 : 0
氢键受体数量 : 0
可旋转化学键数量 : 0
同位素质量 : 142.078
重原子数量 : 11
复杂度 : 91.2
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） : 3.2
拓扑分子极性表面积 : 0Å²

双环[4.4.1]十一碳-1(10),2,4,6,8-五烯(2443-46-1)相关文献

1. Synthesis of syn-3a(12c),9a(9b)-dihomoperylene-3,10-dione, (E?)-syn-2,2′-bi(7H-1,6-methano[10]annulenylidene)-7,7′-dione and of its rearrangement product, trans-12a,12b-dihydro-3a(12c),9a(9b)-dihomoperylene-3,10-dione
Aderson de Farias Dias,Thomas Helwig,Johann Lex,Joseph Miller,Hans Schmickler J. Chem. Soc. Perkin Trans. 1 2000 2083
2. Heteroaromatic variation in amorphous 1,6-methano[10]annulene-based charge-transporting organic semiconductors
Benjamin C. Streifel,Josué F. Martínez Hardigree,Howard E. Katz,John D. Tovar J. Mater. Chem. C 2014 2 7851
3. Annulenes, 1980–2000
Robert D. Kennedy,Douglas Lloyd,Hamish McNab J. Chem. Soc. Perkin Trans. 1 2002 1601
4. Electrophilic aromatic substitution. Part XVI. Detritiation and desilylation of 1,6-methano[10]annulene and 11,11-difluoro-1,6-methano[10]annulene
Roger Taylor J. Chem. Soc. Perkin Trans. 2 1975 1287
5. Block copolymer supramolecular assembly using a precursor to a novel conjugated polymer
Daniel Hagaman,Jacob Gredzik,Patricia A. Peart,J. Michael McCaffery,John D. Tovar,Alexander Sidorenko Polym. Chem. 2013 4 1482
6. Kinetics and mechanism for the formation of phenylhydrazone from benzaldehydes, naphthaldehydes, and formyl-1,6-methano[10]annulenes
Neusa M. Somera,Antonia S. Stachissini,Antonia T. do Amaral,Luciano do Amaral J. Chem. Soc. Perkin Trans. 2 1987 1717
7. Electrophilic substitution in annulenes. Part 4. Transmission of substituent effects in 1,6-methano[10]annulene, determined via protiodesilylation: evidence for substantial C(1)–C(6) transannular orbital interaction
Tsuyoshi Suzuki,Kahei Takase,Kazuko Takahashi,Andrew P. Laws,Roger Taylor J. Chem. Soc. Perkin Trans. 2 1988 697
8. Fluorescence excitation and UV–UV double-resonance spectroscopy of the S0?→?S1(Lb) transition of 1,6-methano[10]annulene cooled in a supersonic jet
Reinhold Seiler,Uwe Kensy,Bernhard Dick Phys. Chem. Chem. Phys. 2001 3 5373
9. Novel syntheses of 1,6-methano[10]annulene and 4-methylazulene
Martin G. Banwell,Con Papamihail J. Chem. Soc. Chem. Commun. 1981 1182
10. The synthesis of novel N-heterocycles from 2-azido-, 2-vinylazido- and 2-formyl-1,6-methano[10]annulene-2-carbaldehydes
Hans Suschitzky,Walter Kramer,Richard Neidlein,Peter Rosyk,Thomas Bohn J. Chem. Soc. Perkin Trans. 1 1991 923

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