4230-32-4 (双环[2.2.1]庚烷-2,5-二酮，1,7,7-三甲基-,Bicyclo[2.2.1]heptane-2,5-dione,1,7,7-trimethyl-)

快速询单

结构式：

双环[2.2.1]庚烷-2,5-二酮，1,7,7-三甲基-MOL文件

CAS号：

4230-32-4

中文名称：

双环[2.2.1]庚烷-2,5-二酮，1,7,7-三甲基-

英文名称：

Bicyclo[2.2.1]heptane-2,5-dione,1,7,7-trimethyl-

分子式：

C₁₀H₁₄O₂

分子量：

166.216963291168

双环[2.2.1]庚烷-2,5-二酮，1,7,7-三甲基-(4230-32-4)名称与标识符

名称

英文别名：

Bicyclo[2.2.1]heptane-2,5-dione,1,7,7-trimethyl-;2,5-Bornanedione;4,7,7-trimethylbicyclo[2.2.1]heptane-2,5-dione;Bicyclo[2.2.1]heptane-2,5-d;(+)-Bornane-2,5-dione;Q27116956;(-)-Bornane-2,5-dione;1,7,7-Trimethylbicyclo[2.2.1]heptane-2,5-dione;DTXSID00962417;SCHEMBL1896711;Bicyclo(2.2.1)heptane-2,5-dione, 1,7,7-trimethyl-;UDIUFGIXIGLRSM-UHFFFAOYSA-N;AKOS000267586;1,7,7-Trimethylbicyclo[2.2.1]heptane-2,5-dione #;Bicyclo[2.2.1]heptane-2,5-dione, 1,7,7-trimethyl-;bornane-2,5-dione;C03037;CHEBI:36775;3,6-diketocamphane;2,5-Dioxocamphane;4230-32-4;LMPR0102120008;1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPTANE-2,5-DIONE;2,5-Diketocamphane;C21929;

标识符

InChIKey：

UDIUFGIXIGLRSM-UHFFFAOYSA-N

Inchi：

1S/C10H14O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6H,4-5H2,1-3H3

SMILES：

O=C1CC2C(CC1(C)C2(C)C)=O

双环[2.2.1]庚烷-2,5-二酮，1,7,7-三甲基-(4230-32-4)物化性质

实验特性

PSA : 34.14
折射率 : 1.5
沸点 : 248.4°Cat760mmHg
闪点 : 91.2°C
密度 : 1.098

计算特性

精确分子量 : 166.09942
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 0
同位素质量 : 166.09938
重原子数量 : 12
复杂度 : 278
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） : 0.8
互变异构体数量 : 4
表面电荷 : 0
拓扑分子极性表面积 : 34.1

双环[2.2.1]庚烷-2,5-二酮，1,7,7-三甲基-(4230-32-4)相关文献

1. Chemical and microbiological remote oxidation of (–)-bornyl acetate
Malcolm S. Allen,Nicholas Darby,Philip Salisbury,Thomas Money J. Chem. Soc. Chem. Commun. 1977 358
2. Nucleophilic addition and substitution reactions of polyhalogenated norbornadienes with alkenoxide and alkenoxide anions. A novel Claisen rearrangement of allyl norbornadienyl ethers
C. H. M. Adams,K. Mackenzie,P. R. Young J. Chem. Soc. Perkin Trans. 2 1972 1856
3. Divorce in the two-component BVMO family: the single oxygenase for enantioselective chemo-enzymatic Baeyer–Villiger oxidations
Robert R?llig,Caroline E. Paul,Magalie Claeys-Bruno,Katia Duquesne,Selin Kara,Véronique Alphand Org. Biomol. Chem. 2021 19 3441
4. Divorce in the two-component BVMO family: the single oxygenase for enantioselective chemo-enzymatic Baeyer–Villiger oxidations
Robert R?llig,Caroline E. Paul,Magalie Claeys-Bruno,Katia Duquesne,Selin Kara,Véronique Alphand Org. Biomol. Chem. 2021 19 3441
5. A general protein purification and immobilization method on controlled porosity glass: biocatalytic applications
K. Engelmark Cassimjee,M. Kadow,Y. Wikmark,M. Svedendahl Humble,M. L. Rothstein,D. M. Rothstein,J.-E. B?ckvall Chem. Commun. 2014 50 9134
6. Native roles of Baeyer–Villiger monooxygenases in the microbial metabolism of natural compounds
Carmien Tolmie,Martha S. Smit,Diederik J. Opperman Nat. Prod. Rep. 2019 36 326
7. Discovery, application and protein engineering of Baeyer–Villiger monooxygenases for organic synthesis
Kathleen Balke,Maria Kadow,Hendrik Mallin,Stefan Sa?,Uwe T. Bornscheuer Org. Biomol. Chem. 2012 10 6249
8. Ligation independent cloning (LIC) as a rapid route to families of recombinant biocatalysts from sequenced prokaryotic genomes
Daniel Bonsor,Stephanie F. Butz,Julianna Solomons,Stephanie Grant,Ian J. S. Fairlamb,Mark J. Fogg,Gideon Grogan Org. Biomol. Chem. 2006 4 1252
9. Biological Baeyer–Villiger oxidation of some monocyclic and bicyclic ketones using monooxygenases from Acinetobacter calcoaceticus NCIMB 9871 and Pseudomonas putida NCIMB 10007
Rene Gagnon,Gideon Grogan,Melissa S. Levitt,Stanley M. Roberts,Peter W. H. Wan,Andrew J. Willetts J. Chem. Soc. Perkin Trans. 1 1994 2537
10. Chapter 12. Enzyme chemistry
D. Gani Annu. Rep. Prog. Chem. Sect. B: Org. Chem. 1986 83 303

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