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1H-Xanthene-1,8(2H)-dione,9-(2-chlorophenyl)-3,4,5,6,7,9-hexahydro-3,3,6,6-tetramethyl

更新时间:2025-10-02 18:31:48

1H-Xanthene-1,8(2H)-dione,9-(2-chlorophenyl)-3,4,5,6,7,9-hexahydro-3,3,6,6-tetramethyl结构式
1H-Xanthene-1,8(2H)-dione,9-(2-chlorophenyl)-3,4,5,6,7,9-hexahydro-3,3,6,6-tetramethyl结构式
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常用名 1H-Xanthene-1,8(2H)-dione,9-(2-chlorophenyl)-3,4,5,6,7,9-hexahydro-3,3,6,6-tetramethyl 英文名 1H-Xanthene-1,8(2H)-dione,9-(2-chlorophenyl)-3,4,5,6,7,9-hexahydro-3,3,6,6-tetramethyl
CAS号 79887-80-2 分子量 384.89600
密度 1.24g/cm3 沸点 512.6ºC at 760 mmHg
分子式 C23H25ClO3 熔点 N/A
MSDS N/A 闪点 178.6ºC

 名称

英文名 9-(2-chlorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
英文别名 更多

 物理化学性质

密度 1.24g/cm3
沸点 512.6ºC at 760 mmHg
分子式 C23H25ClO3
分子量 384.89600
闪点 178.6ºC
精确质量 384.14900
PSA 43.37000
LogP 5.74020
InChIKey RGUZZJWWYDIHNL-UHFFFAOYSA-N
SMILES CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccccc1Cl
折射率 1.593

 合成线路

~95%

1H-Xanthene-1,8(2H)-dione,9-(2-chlorophenyl)-3,4,5,6,7,9-hexahydro-3,3,6,6-tetramethyl结构式

1H-Xanthene-1,8...

79887-80-2

文献:Shirini, Frahad; Abedini, Masoumeh; Pourhasan, Reyhaneh Dyes and Pigments, 2013 , vol. 99, # 1 p. 250 - 255

~80%

1H-Xanthene-1,8(2H)-dione,9-(2-chlorophenyl)-3,4,5,6,7,9-hexahydro-3,3,6,6-tetramethyl结构式

1H-Xanthene-1,8...

79887-80-2

文献:Bigdeli, Mohammad A.; Sheikhhosseini, Enayatollah; Habibi, Azizollah; Balalaieb, Saeed Heterocycles, 2011 , vol. 83, # 1 p. 107 - 116

~0%

详细
文献:Sethukumar; Chandy, Millet M.; Arul Prakasam; Pallepogu, Raghavaiah Structural Chemistry, 2011 , vol. 22, # 3 p. 671 - 680

~%

1H-Xanthene-1,8(2H)-dione,9-(2-chlorophenyl)-3,4,5,6,7,9-hexahydro-3,3,6,6-tetramethyl结构式

1H-Xanthene-1,8...

79887-80-2

文献:Cremlyn, Richard J.; Saunders, David Phosphorus, Sulfur and Silicon and the Related Elements, 1993 , vol. 81, # 1-4 p. 73 - 82

~%

1H-Xanthene-1,8(2H)-dione,9-(2-chlorophenyl)-3,4,5,6,7,9-hexahydro-3,3,6,6-tetramethyl结构式

1H-Xanthene-1,8...

79887-80-2

文献:Cremlyn, Richard J.; Saunders, David Phosphorus, Sulfur and Silicon and the Related Elements, 1993 , vol. 81, # 1-4 p. 73 - 82

~%

1H-Xanthene-1,8(2H)-dione,9-(2-chlorophenyl)-3,4,5,6,7,9-hexahydro-3,3,6,6-tetramethyl结构式

1H-Xanthene-1,8...

79887-80-2

文献:Cremlyn, Richard J.; Saunders, David Phosphorus, Sulfur and Silicon and the Related Elements, 1993 , vol. 81, # 1-4 p. 73 - 82

~%

1H-Xanthene-1,8(2H)-dione,9-(2-chlorophenyl)-3,4,5,6,7,9-hexahydro-3,3,6,6-tetramethyl结构式

1H-Xanthene-1,8...

79887-80-2

文献:Han, Guang-Fan; Cui, Bin; Chen, Li-Zhuang; Hu, Xiao-Lei Journal of Heterocyclic Chemistry, 2012 , vol. 49, # 1 p. 195 - 199

~92%

1H-Xanthene-1,8(2H)-dione,9-(2-chlorophenyl)-3,4,5,6,7,9-hexahydro-3,3,6,6-tetramethyl结构式

1H-Xanthene-1,8...

79887-80-2

文献:Kumar, Dhruva; Suresh; Sandhu, Jagir S. Synthetic Communications, 2013 , vol. 43, # 20 p. 2739 - 2747

~%

1H-Xanthene-1,8(2H)-dione,9-(2-chlorophenyl)-3,4,5,6,7,9-hexahydro-3,3,6,6-tetramethyl结构式

1H-Xanthene-1,8...

79887-80-2

文献:Vorlaender Fresenius' Zeitschrift fuer Analytische Chemie, 1929 , vol. 77, p. 266

 靶点实验

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来源:The Scripps Research Institute Molecular Screening Center
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External Id:ADAM17_INH_QFRET_1536_1X%INH PRUN
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External Id:CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1100
实验名称:qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1101
实验名称:Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
来源:Broad Institute
靶标:N/A
External Id:2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
实验名称:A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id:HMS979
实验名称:Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
来源:Broad Institute
靶标:FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id:2147-01_Inhibitor_SinglePoint_HTS_Activity
实验名称:Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
来源:Broad Institute
靶标:N/A
External Id:Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
实验名称:qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima...
来源:NCGC
靶标:apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7]
External Id:AMA1100
实验名称:Fluorescence polarization-based biochemical high throughput primary assay to identify...
来源:The Scripps Research Institute Molecular Screening Center
靶标:abhydrolase domain-containing protein 4 isoform 1 [Mus musculus]
External Id:ABHD4_INH_FP_1536_1X%INH PRUN
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 英文别名

hms1554o14
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