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7-乙氧基-4-甲基香豆素 | 87-05-8

7-乙氧基-4-甲基香豆素
7-Ethoxy-4-methylcoumarin
87-05-8
C12H12O3
204.221883773804
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:7-乙氧基-4-甲基香豆素结构式
24869818
名称和标识符
MDL MFCD00016971
InChIKey NKRISXMDKXBVRJ-UHFFFAOYSA-N
Inchi 1S/C12H12O3/c1-3-14-9-4-5-10-8(2)6-12(13)15-11(10)7-9/h4-7H,3H2,1-2H3
SMILES O=C1C=C(C)C2C(=CC(=CC=2)OCC)O1
BRN 169998
别名信息
- 中文别名 -
  • 7-乙氧基-4-甲基香豆素
  • 4-甲基-7-乙氧基香豆素
  • 7-Ethoxy-4-methylcoumarin 7-乙氧基-4-甲基香豆素
  • 7-乙氧基-4-甲基-2H-CHROMEN-2-酮
- 英文别名 -
  • 7-Ethoxy-4-methylcoumarin
  • 7-Ethoxy-4-methyl-2H-chromen-2-one
  • Ethyl 4-methylumbelliferyl ether
  • 4-Methyl-7-ethoxycoumarin
  • 7-ETHOXY-4-METHYLCOUMARIN FOR FLUORESCENCE
  • METHYL-7-METHOXYCOUMARIN, 4-(AS) PrintBack
  • 7-ethoxy-4-methylchromen-2-one
  • 2H-1-Benzopyran-2-one, 7-ethoxy-4-methyl-
  • Coumarin, 7-ethoxy-4-methyl-
  • ZLV1S0NNZH
  • NSC60561
  • Coumarin, 7-ethoxy-4-methyl- (8CI)
  • ST060225
  • 7-Ethoxy-4-methyl-2H-1-benzopyran-2-one
  • Madescol
  • Maraniol
  • Morlin
  • Ethoxy resocyanin
  • 7-ethoxy-4-methyl-chromen-2-one
  • PubChem8679
  • 7-Ethoxy-4-methylcoumari
  • 7-ethoxy-4-methyl-coumarin
  • 7-Ethoxy-4-methyl-2H-1-benzopyran-2-one (ACI)
  • Coumarin, 7-ethoxy-4-methyl- (6CI, 8CI)
  • 4-Methylumbelliferone ethyl ether
  • NSC 60561
物化性质
实验特性
LogP 2.50010
PSA 39.44000
折射率 1.548
沸点 351.4 °C at 760 mmHg
熔点 111.0 to 117.0 deg-C
闪点 351.4 °C at 760 mmHg
溶解度 DMF: soluble
颜色与性状 不确定
溶解性 易溶于水。
密度 1.163
计算特性
精确分子量 204.07900
氢键供体数量 0
氢键受体数量 3
可旋转化学键数量 2
同位素质量 204.079
重原子数量 15
复杂度 283
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) 2.6
表面电荷 0
拓扑分子极性表面积 35.5
国际标准相关数据
EINECS 60561
海关数据
海关编码 2932209090
海关数据

中国海关编码:

2932209090

概述:

2932209090. 其他内酯. 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:

2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

合成路线

合成路线:2 步

反应条件:
参考文献:
Synthesis and antibacterial activity of mannich bases of coumarins
Sumakanth, M.; et al, European Journal of Biomedical and Pharmaceutical Sciences, 2019, 6(8), 288-294

合成路线:1 步

反应条件:
参考文献:
Expeditious Pechmann Condensation by Using Biodegradable Cellulose Sulfuric Acid as a Solid Acid Catalyst
Kuarm, B. Suresh; et al, Synthetic Communications, 2010, 40(22), 3358-3364

合成路线:2 步

反应条件:
参考文献:
The synthesis of novel coumarin dyes and the study of their photoreaction properties
Wang, Tao; et al, Dyes and Pigments, 2007, 75(1), 104-110

合成路线:2 步

反应条件:
参考文献:
Synthesis and biological screening of 7-hydroxy-4-methyl-2H-chromen-2-one, 7-hydroxy-4,5-dimethyl-2H-chromen-2-one and their some derivatives
Khan, Khalid Mohammed; et al, Natural Product Research, 2003, 17(2), 115-125

合成路线:1 步

反应条件:
参考文献:
LiBr-mediated, solvent free von Pechmann reaction: facile and efficient method for the synthesis of 2H-chromen-2-ones
Kumar, Sanjay; et al, ARKIVOC (Gainesville, 2007, (15), 18-23

合成路线:1 步

参考文献:
One-Pot Synthesis and Photophysical Studies of Dihydropyrimidinone-Based Dyes: Novel Violet-Blue Light Emitting Fluorophores
Matta, Akanksha; et al, ChemistrySelect, 2018, 3(38), 10815-10820

合成路线:1 步

反应条件:
参考文献:
Synthesis, characterization and antibacterial activity of coumarin derivatives
Sukanya, M.; et al, World Journal of Pharmacy and Pharmaceutical Sciences, 2019, 8(3), 1574-1589

合成路线:2 步

反应条件:
参考文献:
Synthesis of 6- and 7-alkoxy-4-methylcoumarins from corresponding hydroxy coumarins and their conversion into 6- and 7-alkoxy-4-formylcoumarin derivatives
Ngoc Toan, Vu ; et al, Synthetic Communications, 2020, 50(23), 3603-3615

合成路线:1 步

反应条件:
参考文献:
Catalytic synthesis of 7-alkoxylcoumarins by TBAB
Zhang, Wei-hua; et al, Hecheng Huaxue, 2008, 16(5), 561-563

合成路线:1 步

反应条件:
参考文献:
The synthesis of novel coumarin dyes and the study of their photoreaction properties
Wang, Tao; et al, Dyes and Pigments, 2007, 75(1), 104-110

合成路线:1 步

反应条件:
参考文献:
En Route to Stabilized Compact Conformations of Single-Chain Polymeric Nanoparticles in Complex Media
Wijker, Stefan ; et al, Macromolecules (Washington, 2022, 55(14), 6220-6230

合成路线:1 步

反应条件:
参考文献:
Synthesis, characterisation and photophysical studies of oxadiazolyl coumarin: A new class of blue light emitting fluorescent dyes
Matta, Akanksha; et al, Dyes and Pigments, 2017, 140, 250-260

合成路线:2 步

反应条件:
参考文献:
Synthesis, antioxidant and insecticidal activities of some coumarin derivatives
Khan, K. M.; et al, Journal of the Chemical Society of Pakistan, 2002, 24(3), 226-231

合成路线:2 步

反应条件:
参考文献:
Synthesis and antibacterial activity of mannich bases of coumarins
Sumakanth, M.; et al, European Journal of Biomedical and Pharmaceutical Sciences, 2019, 6(8), 288-294

合成路线:2 步

反应条件:
参考文献:
Antimicrobial prospection of some coumarin derivatives
Taataringa, Gabriela; et al, Farmacia (Bucharest, 2018, 66(2), 323-330

合成路线:2 步

反应条件:
参考文献:
Synthesis, characterisation and photophysical studies of oxadiazolyl coumarin: A new class of blue light emitting fluorescent dyes
Matta, Akanksha; et al, Dyes and Pigments, 2017, 140, 250-260

合成路线:1 步

反应条件:
参考文献:
Xanthan sulfuric acid, an efficient and recyclable solid acid catalyst for Pechmann condensation
Kuarm, B. Suresh; et al, Synthetic Communications, 2012, 42(12), 1770-1777

合成路线:1 步

反应条件:
参考文献:
Photochemistry of pesticides. 13. Some photoreactions of O,O-diethyl-O-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)phosphorothioate (Potasan)
Abdou, Wafaa M.; et al, Phosphorus and Sulfur and the Related Elements, 1988, 39(3-4), 199-203

合成路线:1 步

反应条件:
参考文献:
Ultrasound-promoted greener synthesis of 2H-chromen-2-ones catalyzed by copper perchlorate in solventless media
Puri, Saurabh; et al, Ultrasonics Sonochemistry, 2009, 16(6), 705-707

合成路线:2 步

反应条件:
参考文献:
Synthesis, antifungal, and phytotoxic effects of some benzopyrone derivatives
Khan, Khalid Mohammed; et al, Natural Product Research, 2004, 18(1), 21-27

合成路线:2 步

反应条件:
参考文献:
Synthesis, characterization and antibacterial activity of coumarin derivatives
Sukanya, M.; et al, World Journal of Pharmacy and Pharmaceutical Sciences, 2019, 8(3), 1574-1589

合成路线:1 步

反应条件:
参考文献:
Selectfluor-promoted environmental-friendly synthesis of 2H-chromen-2-one derivative under various reaction conditions
Ranjbar-Karimi, R.; et al, Journal of the Iranian Chemical Society, 2011, 8(1), 193-197

合成路线:1 步

反应条件:
参考文献:
Study on synthesis of 7-ethoxyl-4-methycoumarin by phase transfer catalysis under microwave irradiation
Ye, Hong; et al, Huaxue Shijie, 2014, 55(4), 223-225

合成路线:2 步

反应条件:
参考文献:
Synthesis, characterization and antibacterial activity of coumarin derivatives
Sukanya, M.; et al, World Journal of Pharmacy and Pharmaceutical Sciences, 2019, 8(3), 1574-1589

合成路线:1 步

反应条件:
参考文献:
Coumarin Derivatives as Substrate Probes of Mammalian Cytochromes P450 2B4 and 2B6: Assessing the Importance of 7-Alkoxy Chain Length, Halogen Substitution, and Non-Active Site Mutations
Liu, Jingbao; et al, Biochemistry, 2016, 55(13), 1997-2007

合成路线:1 步

反应条件:
参考文献:
Pechmann reaction promoted by boron trifluoride dihydrate
Stoyanov, Edmont V.; et al, Molecules, 2005, 10(7), 762-766

合成路线:1 步

反应条件:
参考文献:
Polymer supported hydroxycoumarin anion. Convenient method for O-alkylation of hydroxycoumarin
Deshmukh, J. G.; et al, Journal of the Indian Chemical Society, 1986, 63(4), 442-3
相关文献
专业数据库参考
PubChemId 24869818
参考资料
Reaxys RN 169998
Beilstein 18(5)1,441
化合物详情(旧版)

SMILES

CCOC1=CC2=C(C=C1)C(C)=CC(=O)O2

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