占吨酮 | 90-47-1
中文名称:
占吨酮
英文名称:
Xanthone
CAS No.:
90-47-1
分子式:
C1 3 H8 O2
分子量:
196.20142364502
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:占吨酮结构式
简介
呫吨酮是一种化学物质,分子式:C13H8O2
名称和标识符
MDL
MFCD00005060
InChIKey
JNELGWHKGNBSMD-UHFFFAOYSA-N
Inchi
1S/C13H8O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H
SMILES
O=C1C2C(=CC=CC=2)OC2C1=CC=CC=2
BRN
140443
物化性质
实验特性
LogP
2.94620
PSA
30.21000
Merck
10062
折射率
1.6000 (estimate)
水溶性
It is Soluble in water (partly), chloroform, hot Toluene, ether (slightly), and hot alcohol.
沸点
349-350 °C/730 mmHg(lit.)
熔点
172-174 °C (lit.)
闪点
350-351°C
颜色与性状
白色至浅黄色针状结晶。
稳定性
Stable. Incompatible with strong oxidizing agents.
溶解性
易溶于氯仿,溶于乙醇、乙醚、氯仿、苯,微溶于石油醚,不溶于水。
密度
1.1607 (rough estimate)
计算特性
精确分子量
196.05200
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
196.052
重原子数量
15
复杂度
237
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)
3.4
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
26.3
分子量
196.20
海关数据
海关编码
2932999099
海关数据
中国海关编码:
2932999099
概述:
2932999099. 其他仅含氧杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
Summary:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
相关文献
1.
Acid catalysed rearrangements of 1-hydroxy-2,3,4,4a-tetrahydro-9H-xanthen-9-ones: synthesis and cycloaddition reactions of 3,4-dihydro-9H-xanthen-9-ones
Christopher D. Gabbutt,John D. Hepworth,Michael W. J. Urquhart,Luis M. Vazquez de Miguel J. Chem. Soc. Perkin Trans. 1 1998 1547
2.
Synthesis of C-ring substituted xanthones from the [4?+?2] cycloaddition reaction of vinylchromones and acyclic enamines
Avijit S. Kelkar,Roy M. Letcher,Kung-Kai Cheung,Kwei-Fung Chiu,Geoffrey D. Brown J. Chem. Soc. Perkin Trans. 1 2000 3732
3.
Synthesis and bioactivity of novel xanthone and thioxanthone l-rhamnopyranosides
Gao-peng Song,Su-mei Li,Hong-zong Si,Yi-bin Li,Ya-sheng Li,Ji-hong Fan,Qian-qian Liang,Hui-bing He,Han-ming Ye,Zi-ning Cui RSC Adv. 2015 5 36092
4.
FeCl3 and ether mediated direct intramolecular acylation of esters and their application in efficient preparation of xanthone and chromone derivatives
Neng Jiang,Su-Yi Li,Sai-Sai Xie,Hequan Yao,Hongbin Sun,Xiao-Bing Wang,Ling-Yi Kong RSC Adv. 2014 4 63632
5.
Synthesis and evaluation of novel aza-caged Garcinia xanthones
Xiaojin Zhang,Xiang Li,Haopeng Sun,Zhengyu Jiang,Lei Tao,Yuan Gao,Qinglong Guo,Qidong You Org. Biomol. Chem. 2012 10 3288
6.
Retracted Article: Synthesis of xanthone derivatives and anti-hepatocellular carcinoma potency evaluation: induced apoptosis
Jie Liu,Hui Bao,Huailing Wang,Qiang Luo,Jianhong Zuo,Zhigang Liu,Shuqi Qiu,Xizhuo Sun,Xiaoyu Liu RSC Adv. 2019 9 40781
7.
Achievement of high efficiency with extremely low efficiency roll-off in solution-processed thermally activated delayed fluorescence OLEDs manufactured using xanthone-based bipolar host materials
Chae Yeong Kim,Chiho Lee,Hyung Jong Kim,Jinhyo Hwang,Mallesham Godumala,Ji-Eun Jeong,Han Young Woo,Min Ju Cho,Sungnam Park,Dong Hoon Choi J. Mater. Chem. C 2020 8 6780
8.
Achievement of high efficiency with extremely low efficiency roll-off in solution-processed thermally activated delayed fluorescence OLEDs manufactured using xanthone-based bipolar host materials
Chae Yeong Kim,Chiho Lee,Hyung Jong Kim,Jinhyo Hwang,Mallesham Godumala,Ji-Eun Jeong,Han Young Woo,Min Ju Cho,Sungnam Park,Dong Hoon Choi J. Mater. Chem. C 2020 8 6780
9.
Design, synthesis and structure–activity relationships of mangostin analogs as cytotoxic agents
Xiao-Qian Chi,Cheng-Ting Zi,Hong-Mei Li,Liu Yang,Yong-Feng Lv,Jin-Yu Li,Bo Hou,Fu-Cai Ren,Jiang-Miao Hu,Jun Zhou RSC Adv. 2018 8 41377
10.
Recent advances in the synthesis of xanthones and azaxanthones
Diana I. S. P. Resende,Fernando Dur?es,Miguel Maia,Emília Sousa,Madalena M. M. Pinto Org. Chem. Front. 2020 7 3027
参考资料
Reaxys RN
140443
Beilstein
140443
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