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4157-01-1 ((cyclopent-4-ene-1,3-diol)

结构式：

cyclopent-4-ene-1,3-diol结构式图片|4157-01-1结构式图片

cyclopent-4-ene-1,3-diolMOL文件

CAS号：

4157-01-1

英文名称：

cyclopent-4-ene-1,3-diol

分子式：

C₅H₈O₂

分子量：

100.115821838379

相关分类：

溶剂及有机化学品 > 有机化合物 > Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols

溶剂及有机化学品 > 有机化合物 > Organic oxygen compounds > Organooxygen compounds > Secondary alcohols

cyclopent-4-ene-1,3-diol(4157-01-1)名称与标识符

名称

英文别名：

cyclopent-4-ene-1,3-diol;4-cyclopenten-1,3-diol; cyclopent-1-en-3,5-diol; 2-cyclopentene-1,4-diol; 4-cyclopentene-1,3-diol; cis-2-cyclopentenyl-1,4-diol; cyclopent-2-ene-1,4-diol; cis-cyclopent-4-ene-1.3-diol; 2-Cyclopenten-1,4-diol;;2-cyclopentene-1,4-diol;3,5-dihydroxycyclopent-1-ene;SY244799;DTXSID90961813;cyclopent-2-ene-1,4-diol;NSC128320;SCHEMBL1238106;IGRLIBJHDBWKNA-UHFFFAOYSA-N;BCP26116;Cyclopenten-3,5-diol;694-47-3;NSC-128320;cis-3,5-Dihydroxy-1-cyclopentene;4-Cyclopentene-1,3-diol, (1R,3S)-rel-;4157-01-1;MFCD00077703;4-Cyclopentene-1,3-diol;trans-cyclopent-4-ene-1,3-diol;

标识符

InChIKey：

IGRLIBJHDBWKNA-UHFFFAOYSA-N

Inchi：

1S/C5H8O2/c6-4-1-2-5(7)3-4/h1-2,4-7H,3H2

SMILES：

OC1C=CC(C1)O

cyclopent-4-ene-1,3-diol(4157-01-1)物化性质

实验特性

LogP : -0.33190
PSA : 40.46
折射率 : 1.595
沸点 : 229.2°C at 760 mmHg
闪点 : 113.7°C
密度 : 1.317

计算特性

精确分子量 : 100.05244
氢键供体数量 : 2
氢键受体数量 : 2
可旋转化学键数量 : 0
同位素质量 : 100.052
重原子数量 : 7
复杂度 : 78.1
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） : -0.5
拓扑分子极性表面积 : 40.5Å²

cyclopent-4-ene-1,3-diol(4157-01-1)相关文献

1. Chemoselective formation of cyclo-aliphatic and cyclo-olefinic 1,3-diols via pressure hydrogenation of potentially biobased platform molecules using Kn?lker-type catalysts
Christian A. M. R. van Slagmaat,Teresa Faber,Khi Chhay Chou,Alfonso J. Schwalb Freire,Darya Hadavi,Peiliang Han,Peter J. L. M. Quaedflieg,Gerard K. M. Verzijl,Paul L. Alsters,Stefaan M. A. De Wildeman Dalton Trans. 2021 50 10102
2. Oxalamide-based bisdiamidophosphites: synthesis, coordination, and application in asymmetric metallocatalysis
Konstantin N. Gavrilov,Igor S. Mikhel,Sergey V. Zheglov,Vladislav K. Gavrilov,Ilya V. Chuchelkin,Ilya D. Firsin,Kirill P. Birin,Ivan S. Pytskii,Ksenia A. Paseshnichenko,Victor A. Tafeenko,Vladimir V. Chernyshev,Alexei A. Shiryaev Org. Chem. Front. 2019 6 1637
3. Palladium-catalyzed reaction of 4-cyclopentene-1,3-diol monoacetate with Grignard reagents producing hitherto unreachable cis-1,2-isomers
Hatsuhiko Hattori,Ashraf A. Abbas,Yuichi Kobayashi Chem. Commun. 2004 884
4. Desymmetrisation of meso-diols mediated by non-enzymatic acyl transfer catalysts
álvaro Enríquez-García,E. Peter Kündig Chem. Soc. Rev. 2012 41 7803
5. Advances in the enantioselective synthesis of carbocyclic nucleosides
Omar Boutureira,M. Isabel Matheu,Yolanda Díaz,Sergio Castillón Chem. Soc. Rev. 2013 42 5056
6. Advances in the enantioselective synthesis of carbocyclic nucleosides
Omar Boutureira,M. Isabel Matheu,Yolanda Díaz,Sergio Castillón Chem. Soc. Rev. 2013 42 5056
7. Rhodium-catalysed substitutive arylation of cis-allylic diols with arylboroxines
Tomoya Miura,Yusuke Takahashi,Masahiro Murakami Chem. Commun. 2007 595
8. Concise racemic and highly enantioselective approaches to key intermediates for the syntheses of carbocyclic nucleosides and pseudo-ribofuranoses: formal syntheses of carbovir
David M. Hodgson,Jason Witherington,Brian A. Moloney J. Chem. Soc. Perkin Trans. 1 1994 3373
9. g-C3N4/metal halide perovskite composites as photocatalysts for singlet oxygen generation processes for the preparation of various oxidized synthons
Marco Corti,Rossella Chiara,Lidia Romani,Barbara Mannucci,Lorenzo Malavasi,Paolo Quadrelli Catal. Sci. Technol. 2021 11 2292
10. Phosphino-carboxamides: the inconspicuous gems
Petr ?těpni?ka Chem. Soc. Rev. 2012 41 4273

目录

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