79418-41-0 (3-氨基-7-羟基香豆素,3-Amino-7-hydroxy-2H-chromen-2-one)

CAS号:
79418-41-0
中文名称:
3-氨基-7-羟基香豆素
英文名称:
3-Amino-7-hydroxy-2H-chromen-2-one
分子式:
C9H7NO3
分子量:
177.156782388687

3-氨基-7-羟基香豆素(79418-41-0)名称与标识符

名称

中文别名:
3-氨基-7-羟基香豆素;3-氨基-7-羟基-2H-色烯-2-酮;3-氨基-7-羟基-2H-苯并吡喃-2-酮;
英文别名:
3-Amino-7-hydroxy-2H-chromen-2-one;3-amino-7-hydroxychromen-2-one;3-Amino-7-hydroxycoumarin;3-Amino-7-hydroxycoumarin [3-Aminoumbelliferone];3-amino-7-hydroxy-2H-1-benzopyran-2-one;AK-48511;ANW-48158;BR-48511;CTK8B5262;FT-0660500;KB-234675;RQFHTIQNYJDJAH-UHFFFAOYSA-N;3-amino-7-hydroxy-chromen-2-one;FCH1133669;ST2404894;AX8211957;W8495;10.14272/RQFHTIQNYJDJAH-UHFFFAOYSA-N;doi:10.14272/RQFHTIQNYJDJAH-UHFFFAOYSA-N;3-Amino-7-hydroxy-2H-1-benzopyran-2-one (ACI);Umbelliferone, 3-amino- (6CI);SCHEMBL1607902;DTXSID30720986;AKOS015919521;A23172;79418-41-0;AS-61699;FT-0688562;O10941;MFCD19441226;DB-026996;

标识符

MDL:
MFCD19441226
InChIKey:
RQFHTIQNYJDJAH-UHFFFAOYSA-N
Inchi:
1S/C9H7NO3/c10-7-3-5-1-2-6(11)4-8(5)13-9(7)12/h1-4,11H,10H2
SMILES:
O=C1C(N)=CC2C(=CC(=CC=2)O)O1

3-氨基-7-羟基香豆素(79418-41-0)物化性质

实验特性

  • 熔点 : >260 ºC
  • 溶解度 : 微溶 (4.6 g/L) (25 ºC),
  • 密度 : 1.463±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 177.042593085g/mol
  • 氢键供体数量 : 2
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 0
  • 同位素质量 : 177.042593085g/mol
  • 重原子数量 : 13
  • 复杂度 : 262
  • 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) : 1.1
  • 拓扑分子极性表面积 : 72.6

3-氨基-7-羟基香豆素(79418-41-0)推荐厂家 更多厂家(15)

公司名称手机号/电话联系人QQ微信询单
上海源叶生物科技有限公司 15026964105
15026964105
汤思磊 2881489226
询单
南通众合化工新材料有限公司 18762756250
0513-55074056
胡经理 2369399482
询单
金锦乐(湖南)化学有限公司 金锦乐 1226360695
询单
上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
询单
赫澎(上海)生物科技有限公司 13122891558
186-16545970
张硕 3418426269
询单
赫澎(上海)生物科技有限公司 13122891558
186-16545970
张硕 3418426269
询单
JACS-郑州杰克斯化工产品有限公司 13223061139
0371-86259281
杰克斯JACS 893596907
询单
上海一基实业有限公司 13311756052
021-60526763 13311756052 13311756131
胡经理 2355265332
询单
上海一基实业有限公司 13311756131
021-60548336 QQ:2355265332 QQ:2851717387
胡经理 2355265332
询单
江苏艾康生物医药研发有限公司 18795912720
025-66061636
杨情情 3004779232
询单

3-氨基-7-羟基香豆素(79418-41-0)合成路线

合成路线:1 步
反应条件:
参考文献:
Synthesis of 3-aminochromenes: the Zincke reaction revisited
Costa, Marta ; Rodrigues, Ana I.; Proenca, Fernanda, Tetrahedron, 2014, 70(33), 4869-4875
合成路线:1 步
反应条件:
参考文献:
Hydrolysis-free synthesis of 3-aminocoumarins
Kudale, Amit A.; Kendall, Jamie; Warford, C. Chad; Wilkins, Natasha D.; Bodwell, Graham J., Tetrahedron Letters, 2007, 48(29), 5077-5080
合成路线:1 步
反应条件:
参考文献:
Defining a minimum pharmacophore for simocyclinone D8 disruption of DNA gyrase binding to DNA
Gaskell, Lauren M.; Nguyen, Thuy; Ellis, Keith C., Medicinal Chemistry Research, 2014, 23(8), 3632-3643
合成路线:1 步
反应条件:
参考文献:
Highly efficient catalytic performance on CuAAC reaction by polymer-like supramolecular self-assemblies-Cu(I) in aqueous solution
Deng, Bin ; Yang, Jing ; Guo, Mengbi ; Yang, Rui, Applied Organometallic Chemistry, 2022, 36(6),
合成路线:1 步
反应条件:
参考文献:
Mild and highly efficient deacetylation of acetamido and acetoxy coumarins: A convenient and expeditious synthesis of substituted 3-aminocoumarins
Krajnakova, Jana; Joniak, Jakub; Putala, Martin ; Gorova, Renata; Jurdakova, Helena; et al, Synthetic Communications, 2021, 51(21), 3277-3291
合成路线:1 步
反应条件:
参考文献:
A novel highly selective colorimetric sensor for Ni(II) ion using coumarin derivatives
Jiang, Jinqiang; Gou, Chao; Luo, Jing; Yi, Chenglin; Liu, Xiaoya, Inorganic Chemistry Communications, 2012, 15, 12-15
合成路线:1 步
反应条件:
参考文献:
Synthesis and mesomorphic properties of coumarin derivatives with chalcone and imine linkages
Durgapal, Sunil Dutt; Soni, Rina; Soman, Shubhangi S.; Prajapati, A. K., Journal of Molecular Liquids, 2020, 297,
合成路线:1 步
反应条件:
参考文献:
Coumarin derivatives containing Schiff base and ester mesogenic core: Synthesis, mesomorphic behaviour and DFT calculations
Katariya, Kanubhai D.; Soni, Rina ; Nakum, Kiran J.; Soman, Shubhangi S. ; Hagaar, Mohamed, Journal of Molecular Structure, 2022, 1262,
合成路线:1 步
反应条件:
参考文献:
Synthesis and properties of Cu2+ fluorescence probe based on coumarin-imine
Wang, Jianhong; Guo, Xinling; Zhao, Huijun; Luo, Zhaoyang; Hou, Xufeng; et al, Huaxue Yanjiu, 2014, 25(4), 345-348
合成路线:1 步
反应条件:
参考文献:
A Highly Sensitive Fluorescence Probe for Fast Thiol-Quantification Assay of Glutathione Reductase
Yi, Long; Li, Heyang; Sun, Lu; Liu, Liangliang; Zhang, Caihong; et al, Angewandte Chemie, 2009, 48(22), 4034-4037
合成路线:1 步
反应条件:
参考文献:
A colorimetric and "turn-on" fluorescent chemosensor for Zn(II) based on coumarin Shiff-base derivative
Li, He-yang; Gao, Shuang; Xi, Zhen, Inorganic Chemistry Communications, 2009, 12(4), 300-303
合成路线:1 步
反应条件:
参考文献:
Tyrosine-like condensed derivatives as tyrosinase inhibitors
Matos, Maria Joao; Santana, Lourdes; Uriarte, Eugenio; Serra, Silvia; Corda, Marcella; et al, Journal of Pharmacy and Pharmacology, 2012, 64(5), 742-746
合成路线:1 步
反应条件:
参考文献:
Novel synthesis and cytotoxic activity of some chromeno[3,4-b]pyrrol-4(3H)-ones
Soman, S. S.; Thaker, T. H.; Rajput, R. A., Chemistry of Heterocyclic Compounds (New York, 2011, 46(12), 1514-1519
合成路线:1 步
反应条件:
参考文献:
Synthesis of coumarin-Schiff base compounds and metal ion recognition performances of the products
Wang, Ling-yun; Ye, De-cheng; Cao, De-rong, Huanan Ligong Daxue Xuebao, 2012, 40(5), 46-51
合成路线:1 步
反应条件:
参考文献:
"Turn-on" fluorescence probe integrated polymer nanoparticles for sensing biological thiol molecules
Ang, Chung Yen; Tan, Si Yu; Lu, Yunpeng; Bai, Linyi; Li, Menghuan; et al, Scientific Reports, 2014, 4,
合成路线:1 步
反应条件:
参考文献:
Coumarin-based fluorescent probe for the detection of glutathione and nitroreductase
Tian, Xue ; Kumawat, Lokesh K.; Bull, Steven D. ; Elmes, Robert B. P. ; Wu, Luling; et al, Tetrahedron, 2021, 82,
合成路线:1 步
反应条件:
参考文献:
Design and synthesis of 3-benzylaminocoumarin-7-O-sulfamate derivatives as steroid sulfatase inhibitors
Hng, Yue; Lin, Mei-Hsiang; Lin, Tzung-Sheng; Liu, I-Chen; Lin, I-Chun; et al, Bioorganic Chemistry, 2020, 96,
合成路线:1 步
参考文献:
Discovery two potent and new inhibitors of 15-lipoxygenase: (E)-3-((3,4-dihydroxybenzylidene) amino)-7-hydroxy-2H-chromen-2-one and (E)-O-(4-(((7-hydroxy-2-oxo-2H-chromen-3-yl) imino)methine) phenyl)dimethylcarbamothioate
Nunez, Carolina; Morales, Nicole; Garcia-Beltran, Olimpo; Mascayano, Carolina; Fierro, Angelica, Medicinal Chemistry Research, 2017, 26(11), 2707-2717
合成路线:1 步
反应条件:
参考文献:
Orchestration of dual cyclization processes and dual quenching mechanisms for enhanced selectivity and drastic fluorescence turn-on detection of cysteine
Tong, Hongjuan; Zhao, Jianhong; Li, Xiangmin; Zhang, Yajun; Ma, Shengnan; et al, Chemical Communications (Cambridge, 2017, 53(25), 3583-3586

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