5375-87-1 ((4H,5H-Pyrano[3,4-c][1]benzopyran-5-one,1,2-dihydro-)

快速询单

结构式：

4H,5H-Pyrano[3,4-c][1]benzopyran-5-one,1,2-dihydro-MOL文件

CAS号：

5375-87-1

英文名称：

4H,5H-Pyrano[3,4-c][1]benzopyran-5-one,1,2-dihydro-

分子式：

C₁₂H₁₀O₃

分子量：

202.206003665924

4H,5H-Pyrano[3,4-c][1]benzopyran-5-one,1,2-dihydro-(5375-87-1)名称与标识符

名称

英文别名：

4H,5H-Pyrano[3,4-c][1]benzopyran-5-one,1,2-dihydro-;1,4-dihydro-2H,5H-pyrano[3,4-c][1]benzopyran-5-one;2,4-dihydro-1H-pyrano[3,4-c]chromen-5-one;1,4-dihydro-2h,5h-pyrano[3,4-c]chromen-5-one;EINECS 226-367-9;QVL2VOV0UG;5375-87-1;2H,5H-PYRANO(3,4-C)(1)BENZOPYRAN-5-ONE, 1,4-DIHYDRO-;UNII-QVL2VOV0UG;4H,5H-PYRANO(3,4-C)(1)BENZOPYRAN-5-ONE, 1,2-DIHYDRO-;1,4-Dihydro-2H,5H-pyrano(3,4-c)(1)benzopyran-5-one;J217.933D;NS00032835;2H-PYRAN-3-CARBOXYLIC ACID, 5,6-DIHYDRO-4-(2-HYDROXYPHENYL)-, .DELTA.-LACTONE;DTXSID20202024;Q27287513;1,4-DIHYDRO-2H,5H-PYRANO(3,4-C)CHROMEN-5-ONE;.ALPHA.-PYRANO(3',4':3,4)COUMARIN;

标识符

InChIKey：

WSECHJISCFFJEN-UHFFFAOYSA-N

Inchi：

1S/C12H10O3/c13-12-10-7-14-6-5-8(10)9-3-1-2-4-11(9)15-12/h1-4H,5-7H2

SMILES：

O1CC2C(=O)OC3C=CC=CC=3C=2CC1

4H,5H-Pyrano[3,4-c][1]benzopyran-5-one,1,2-dihydro-(5375-87-1)物化性质

实验特性

LogP : 1.86570
PSA : 39.44000
折射率 : 1.614
沸点 : 397°Cat760mmHg
闪点 : 167.7°C
密度 : 1.31

计算特性

精确分子量 : 202.06300
氢键供体数量 : 0
氢键受体数量 : 3
可旋转化学键数量 : 0
同位素质量 : 202.062994
重原子数量 : 15
复杂度 : 319
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） : 1.2
拓扑分子极性表面积 : 35.5

4H,5H-Pyrano[3,4-c][1]benzopyran-5-one,1,2-dihydro-(5375-87-1)相关文献

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4. Effective and novel enantioselective preparation of pyranopyrazoles and pyranocoumarins that is catalyzed by a quinine-derived primary amine
Sai Yang,Liu-lan Shen,Yoon-Jung Kim,Jin-Hyun Jeong Org. Biomol. Chem. 2016 14 623
5. Preparation, characterization and catalytic application of nano-Fe3O4@SiO2@(CH2)3OCO2Na as a novel basic magnetic nanocatalyst for the synthesis of new pyranocoumarin derivatives
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6. In silico approach: biological prediction of nordentatin derivatives as anticancer agent inhibitors in the cAMP pathway
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7. Br?nsted acidic ionic liquid-catalyzed tandem reaction: an efficient approach towards regioselective synthesis of pyrano[3,2-c]coumarins under solvent-free conditions bearing lower E-factors
Sachinta Mahato,Sougata Santra,Rana Chatterjee,Grigory V. Zyryanov,Alakananda Hajra,Adinath Majee Green Chem. 2017 19 3282
8. A diastereoselective synthesis of pyrano fused coumarins via organocatalytic three-component reaction
Somayeh Ahadi,Mahdi Zolghadr,Hamid Reza Khavasi,Ayoob Bazgir Org. Biomol. Chem. 2013 11 279
9. Avicennol: a new pyranocoumarin from the root-bark of Zanthoxylum avicennae, and its conversion into avicennin
Alexander I. Gray,Roger D. Waigh,Peter G. Waterman J. Chem. Soc. Perkin Trans. 1 1975 488
10. Environmentally benign, one-pot synthesis of pyrans by domino Knoevenagel/6π-electrocyclization in water and application to natural products
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