72581-31-8 (环戊烷羧酸，2-亚甲基-3-氧代-,Cyclopentanecarboxylic acid, 2-methylene-3-oxo-)

快速询单

结构式：

环戊烷羧酸，2-亚甲基-3-氧代-MOL文件

CAS号：

72581-31-8

中文名称：

环戊烷羧酸，2-亚甲基-3-氧代-

英文名称：

Cyclopentanecarboxylic acid, 2-methylene-3-oxo-

分子式：

C₇H₈O₃

分子量：

140.136622428894

环戊烷羧酸，2-亚甲基-3-氧代-(72581-31-8)名称与标识符

名称

英文别名：

Cyclopentanecarboxylic acid, 2-methylene-3-oxo-;Sarkomycin;NSC14347;2-methylidene-3-oxocyclopentane-1-carboxylic acid;2-methylene-3-oxo-cyclopentanecarboxylic acid;DTXSID90871685;SCHEMBL596950;874-21-5;AKOS006377430;NCI60_000955;CHEMBL2008585;

标识符

InChIKey：

ILFPCMXTASDZKM-UHFFFAOYSA-N

Inchi：

1S/C7H8O3/c1-4-5(7(9)10)2-3-6(4)8/h5H,1-3H2,(H,9,10)

SMILES：

O=C1C(=C)C(C(=O)O)CC1

环戊烷羧酸，2-亚甲基-3-氧代-(72581-31-8)物化性质

实验特性

LogP : 0.60630
PSA : 54.37
折射率 : 1.506
沸点 : 320.3°C at 760 mmHg
闪点 : 161.8°C
酸度系数(pKa) : 3.58±0.20(Predicted)
密度 : 1.23

计算特性

精确分子量 : 140.04734
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 1
同位素质量 : 140.047
重原子数量 : 10
复杂度 : 205
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 : 1
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） : 0.2
拓扑分子极性表面积 : 54.4A^2

环戊烷羧酸，2-亚甲基-3-氧代-(72581-31-8)相关文献

1. Trapping of cyclopentadienone as a 4π component in Diels–Alder reactions with ethyl acrylate: a simple synthesis of (±)-sarkomycin
Pier Giovanni Baraldi,Achille Barco,Simonetta Benetti,Gian Piero Pollini,Eleonora Polo,Daniele Simoni J. Chem. Soc. Chem. Commun. 1984 1049
2. Isolation and characterisation of a stable ozonide during an attempted synthesis of structural analogues of sarkomycin
W. Jonathan Cummins,Michael G. B. Drew,John Mann,E. Brian Walsh J. Chem. Soc. Perkin Trans. 1 1983 167
3. Cycloaddition reactions of allyliron complexes: synthesis of cyclopentanoid derivatives such as (±)-sarkomycin
Raymond Baker,Rona B. Keen,Michael D. Morris,Ralph W. Turner J. Chem. Soc. Chem. Commun. 1984 987
4. Strategy of total synthesis based on the use of Rh-catalyzed stereoselective 1,4-addition
M. Jean,B. Casanova,S. Gnoatto,P. van de Weghe Org. Biomol. Chem. 2015 13 9168
5. Total synthesis of cyclopentanoid natural products
Alan T. Hewson,David T. MacPherson J. Chem. Soc. Perkin Trans. 1 1985 2625
6. Chemistry of some newer antibiotics
N. G. Brink,R. E. Harman Q. Rev. Chem. Soc. 1958 12 93
7. Structure – chiroptical properties relationship of cisoid enones with an α-methylenecyclopentanone unit
Jadwiga Frelek,Aleksandra Butkiewicz,Marcin Górecki,Ryszard K. Wojcieszczyk,Roman Luboradzki,Marcin Kwit,Micha? F. Rode,Wojciech J. Szczepek RSC Adv. 2014 4 43977
8. Synthesis and characterization of novel chiral derivatizing agents containing β-keto-anthracene adducts (KAAs) by 1H-NMR: aromatic influence and chiral alcohol absolute configuration determination
Neeranuth Intakaew,Puracheth Rithchumpon,Chanatkran Prommin,Saranphong Yimklan,Nawee Kungwan,Praput Thavornyutikarn,Puttinan Meepowpan Org. Biomol. Chem. 2019 17 541
9. Access to an optically pure cyclosarkomycin by conversion of the endo adduct of (R)-allene 1,3-dicarboxylate and cyclopentadiene
Izumi Ikeda,Ken Kanematsu J. Chem. Soc. Chem. Commun. 1995 453
10. Index pages
J. Chem. Soc. Perkin Trans. 1 1983 A003