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占吨酮 | 90-47-1

占吨酮
Xanthone
90-47-1
C13H8O2
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
占吨酮MSDS
7020
占吨酮价格
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
别名信息
- 中文别名 -
  • 占吨酮
  • 二苯并-γ-吡喃酮
  • 呫吨酮
  • 氧杂蒽酮
  • ?吨酮
  • Xanthone 占吨酮
  • 穿心
  • 二苯并喃酮
  • 口山酮
  • 占吨酮 USP标准品
  • 占吨酮,Xanthone
  • 9H-占吨-9-酮
  • 氧蒽酮
- 英文别名 -
  • Xanthone
  • Xanthen-9-one
  • XANTHONE(AS)
  • 9H-Xanthen-9-one
  • 9-Oxoxanthene
  • 9-Xanthenone
  • Benzophenone oxide
  • Diphenylene ketone oxide
  • Genicide
  • Xanthenone
  • 9-Xanthone
  • Dibenzo-gamma-pyrone
  • Xanthene, 9-oxo-
  • 9H-Xanthene, 9-oxo-
  • Caswell No. 905
  • Dibenzo-.gamma.-pyrone
  • EPA Pesticide Chemical Code 086503
  • 9749WEV0CA
  • E 6
  • JNELGWHKGNBSMD-UHFFFAOYSA-N
  • NSC14978
  • ST024714
  • diphenyline ketone oxide
  • xanthene-9-one
  • Xanthone(Genicide)
  • Xanthon
  • BCP21155
  • Spectrum2_000052
  • AC-907/21098006
  • NCGC00095484-03
  • Z104477176
  • HY-N0126
  • W-100331
  • CHEMBL186784
  • NSC 14978
  • Xanthone, 97%
  • F8889-9282
  • XANTHONE [USP-RS]
  • EN300-20176
  • SY017687
  • Spectrum3_001884
  • MLS002207109
  • 90-47-1
  • Q421789
  • NSC-14978
  • Tox21_301151
  • MFCD00005060
  • UNII-9749WEV0CA
  • CHEBI:37647
  • SR-05000002437-1
  • C13H8O2
  • STR05546
  • SW219800-1
  • BSPBio_003388
  • F15407
  • STK372481
  • SCHEMBL41161
  • SMR000112239
  • DTXCID201795
  • FT-0645039
  • SR-05000002437
  • CAS-90-47-1
  • DTXSID6021795
  • LS-162426
  • CCG-38356
  • XANTHONE [MI]
  • WLN: T C666 BO IVJ
  • CS-0007833
  • X0005
  • NCGC00095484-02
  • NCGC00255049-01
  • Xanthone (Genicide)
  • KBio3_002891
  • Xanthone, United States Pharmacopeia (USP) Reference Standard
  • NCGC00095484-01
  • s2372
  • A843557
  • BDBM50155411
  • HMS3651G22
  • AI3-00077
  • EINECS 201-997-7
  • InChI=1/C13H8O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8
  • AKOS001213782
  • xanthen-9-on
  • SPECTRUM200523
  • SDCCGMLS-0066462.P001
  • XANTHONE
  • ghl.PD_Mitscher_leg0.1212
  • SPBio_000203
  • Xanthen-9-one (8CI)
  • Dibenzo-γ-pyrone
  • Dibenzo[b,e]pyran-10-one
  • NS00039360
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
表面电荷 0
拓扑分子极性表面积 26.3
分子量 196.20
国际标准相关数据
EINECS 14978
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%

合成路线

合成路线:1 步

反应条件:
参考文献:
Concise synthesis of xanthones by the tandem etherification-Acylation of diaryliodonium salts with salicylates
Liu, Gaoxiaozheng; Wu, Chao; Chen, Bifeng; He, Ru; Chen, Chao, Chinese Chemical Letters, 2018, 29(6), 985-988

合成路线:1 步

反应条件:
参考文献:
Oxidation of alkyl aromatics to ketones by tert-butyl hydroperoxide on manganese dioxide catalyst
Burange, Anand S.; Kale, Sandip R.; Jayaram, Radha V., Tetrahedron Letters, 2012, 53(24), 2989-2992

合成路线:1 步

反应条件:
参考文献:
Green oxidations. Manganese(II) sulfate aided oxidations of organic compounds by potassium permanganate
Shaabani, Ahmad; Rahmati, Abbas; Sharifi, Masoumeh; Rad, Jafar Mogimi; Aghaaliakbari, Behnaz; et al, Monatshefte fuer Chemie, 2007, 138(7), 649-651

合成路线:1 步

反应条件:
参考文献:
Oxidation of aromatic alcohols with manganese dioxide
Turner, D. L., Journal of the American Chemical Society, 1954, 76, 5175-6

合成路线:1 步

反应条件:
参考文献:
Decarboxylative Oxidation of Carboxylic Acids Using Photocatalysis and Copper Catalysis
Zaman, Muhammad Kashif; et al, Synlett, 2023, 34(17), 2029-2033

合成路线:1 步

反应条件:
参考文献:
Oxo transfer from amine N-oxides to copper salts: resulting copper(III) mediated oxidation of organic ligands
Maumy, M.; et al, Studies in Surface Science and Catalysis, 1991, 66, 665-73

合成路线:1 步

反应条件:
参考文献:
Redox-active and Bronsted basic dual sites for photocatalytic activation of benzylic C-H bonds based on pyridinium derivatives
Ma, Shuai; Ma, Jin-Ming; Cui, Jing-Wang; Rao, Cai-Hui; Jia, Meng-Ze; et al, Green Chemistry, 2022, 24(6), 2492-2498

合成路线:1 步

反应条件:
参考文献:
Palladium aminopyridine complexes catalyzed selective benzylic C-H oxidations with peracetic acid
Lubov, Dmitry P.; Lyakin, Oleg Yu.; Samsonenko, Denis G.; Rybalova, Tatyana V.; Talsi, Evgenii P.; et al, Dalton Transactions, 2020, 49(32), 11150-11156

合成路线:1 步

反应条件:
参考文献:
Oxidation of benzyl ethers via phase transfer catalysis
Markgraf, J. Hodge; Choi, Bo Yoon, Synthetic Communications, 1999, 29(14), 2405-2411

合成路线:1 步

反应条件:
参考文献:
Selective oxidation of arenes in dry media under focused microwaves
Oussaid, Abdelouahad; Loupy, Andre, Journal of Chemical Research, 1997, (9), 342-343

合成路线:1 步

参考文献:
Cyclodehydration reactions using molten sodium tetrachloroaluminate
Wade, L. G. Jr.; et al, Journal of Organic Chemistry, 1979, 44(21), 3724-5

合成路线:1 步

反应条件:
参考文献:
Broadening the catalyst and reaction scope of regio- and chemoselective C-H oxygenation: a convenient and scalable approach to 2-acylphenols by intriguing Rh(II) and Ru(II) catalysis
Shan, Gang; et al, Organic & Biomolecular Chemistry, 2013, 11(14), 2318-2322

合成路线:1 步

反应条件:
参考文献:
Iron nitrate and 4-OH-TEMPO-cocatalyzed aerobic oxidation of isochromans
Zhang, Qian; Zhang, Jiabin; Qian, Hui; Ma, Shengming, Organic Chemistry Frontiers, 2023, 10(6), 1505-1511

合成路线:1 步

反应条件:
参考文献:
Highly efficient multi-site synergistic catalysis of a polyoxovanadate-based metal-organic framework for benzylic C-H bond oxidation
Dang, Tian-Yi; Li, Run-Han; Tian, Hong-Rui; Guan, Wei; Lu, Ying; et al, Journal of Materials Chemistry A: Materials for Energy and Sustainability, 2022, 10(31), 16514-16523

合成路线:1 步

反应条件:
参考文献:
Formation of cobalt-oxygen intermediates by dioxygen activation at a mononuclear nonheme cobalt(II) center
Malik, Deesha D.; Chandra, Anirban; Seo, Mi Sook; Lee, Yong-Min; Farquhar, Erik R.; et al, Dalton Transactions, 2021, 50(34), 11889-11898

合成路线:1 步

反应条件:
参考文献:
Synthesis of xanthones, thioxanthones and acridones by a metal-free photocatalytic oxidation using visible light and molecular oxygen
Torregrosa-Chinillach, Alejandro; Chinchilla, Rafael, Molecules, 2021, 26(4),

合成路线:1 步

反应条件:
参考文献:
Visible-Light-Induced Aerobic Oxidation of Benzylic C(sp 3 )-H of Alkylarenes Promoted by DDQ, tert -Butyl Nitrite, and Acetic Acid
Pan, Decheng; Wang, Yiqing; Li, Meichao; Hu, Xinquan; Sun, Nan; et al, Synlett, 2019, 30(2), 218-224

合成路线:1 步

反应条件:
参考文献:
Electrochemical Decarboxylative Oxygenation of Carboxylic Acids
Meng, Xiangtai; et al, ACS Sustainable Chemistry & Engineering, 2022, 10(15), 5067-5071

合成路线:1 步

反应条件:
参考文献:
A sodium trifluoromethanesulfinate-mediated photocatalytic strategy for aerobic oxidation of alcohols
Zhu, Xianjin; Liu, Can; Liu, Yong; Yang, Haijun; Fu, Hua, Chemical Communications (Cambridge, 2020, 56(82), 12443-12446

合成路线:1 步

反应条件:
参考文献:
Scalable Aerobic Oxidation of Alcohols Using Catalytic DDQ/HNO3
Katsina, Tania; Clavier, Louis; Giffard, Jean-Francois; Macedo Portela da Silva, Nayane; Fournier, Jean; et al, Organic Process Research & Development, 2020, 24(5), 856-860

合成路线:1 步

反应条件:
参考文献:
Novel allylic oxidation reagents
Barton, Derek H. R.; Wang, Tie-Lin, Tetrahedron Letters, 1994, 35(29), 5149-52

合成路线:1 步

反应条件:
参考文献:
Thiocarbonyl to carbonyl group transformation using cuprous chloride and sodium hydroxide
Narasimhamurthy, N.; Samuelson, A. G., Tetrahedron Letters, 1986, 27(33), 3911-12

合成路线:1 步

参考文献:
Photosensitized chemiluminescent desulfurization of arenethiones
Suzuki, Nobutaka; Sano, Kaniti; Tani, Noriyuki; Izawa, Yasuji, Heterocycles, 1981, 16(7), 1133-6

合成路线:1 步

反应条件:
参考文献:
A new condensing agent for the preparation of benzo-γ-pyrones, and the mode of action of sulfoacetic acid in acetylations
Gottesmann, E., Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen, 1933, 66, 1168-77

合成路线:1 步

反应条件:
参考文献:
Visible-Light Photocatalytic Highly Selective Oxidation of Alcohols into Carbonyl Compounds by CsPbBr3 Perovskite
Fan, Qiangwen ; Liu, Dawei; Xie, Zongbo; Le, Zhanggao; Zhu, Haibo ; et al, Journal of Organic Chemistry, 2023, 88(20), 14559-14570

合成路线:1 步

反应条件:
参考文献:
Hydrogen bond donor solvents enabled metal and halogen-free Friedel-Crafts acylations with virtually no waste stream
Liu, Guangchang; et al, Tetrahedron Letters, 2018, 59(10), 869-872

合成路线:1 步

反应条件:
参考文献:
An alternative efficient method for transformation of thiocarbonyl to carbonyl group using trifluoroacetic anhydride
Masuda, Ryoichi; et al, Tetrahedron Letters, 1991, 32(9), 1195-8

合成路线:1 步

反应条件:
参考文献:
Visible light-driven copper(II) catalyzed aerobic oxidative cleavage of carbon-carbon bonds: a combined experimental and theoretical study
Li, Sanliang; et al, Organic Chemistry Frontiers, 2022, 9(22), 6229-6239
相关文献
专业数据库参考
PubChemId 7020
参考资料
Reaxys RN 140443
Beilstein 140443
化合物详情(旧版)

SMILES

O=C1C2C(=CC=CC=2)OC3C1=CC=CC=3

扩展阅读
2占吨酮百度百科
http://baike.baidu.com/view/4171203.htm
产品用途
可用作荧光剂
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