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2-(4-methylphenyl)sulfonyl-1-(4-nitrophenyl)ethanone

更新时间:2026-08-21 14:23:49

2-(4-methylphenyl)sulfonyl-1-(4-nitrophenyl)ethanone结构式
2-(4-methylphenyl)sulfonyl-1-(4-nitrophenyl)ethanone结构式
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常用名 2-(4-methylphenyl)sulfonyl-1-(4-nitrophenyl)ethanone 英文名 2-(4-methylphenyl)sulfonyl-1-(4-nitrophenyl)ethanone
CAS号 56858-46-9 分子量 319.33200
密度 N/A 沸点 N/A
分子式 C15H13NO5S 熔点 N/A
MSDS N/A 闪点 N/A

 名称

本表展示该化学物质的中文名称、英文系统名、各类中文与英文别名信息。

英文名 2-(4-methylphenyl)sulfonyl-1-(4-nitrophenyl)ethanone
英文别名 更多

 物理化学性质

本表包含该物质理化参数,如熔点、沸点、密度、溶解度、旋光性等理化指标,无数据项标记为N/A。

分子式 C15H13NO5S
分子量 319.33200
精确质量 319.05100
PSA 105.41000
LogP 4.16380
InChIKey YJNHDLDVJDLJAO-UHFFFAOYSA-N
SMILES Cc1ccc(S(=O)(=O)CC(=O)c2ccc([N+](=O)[O-])cc2)cc1

 合成线路

本表提供该化合物公开报道的合成路线、反应条件、反应物与产物参考信息。

~69%

2-(4-methylphenyl)sulfonyl-1-(4-nitrophenyl)ethanone结构式

2-(4-methylphen...

56858-46-9

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文献:Curti, Christophe; Crozet, Maxime D.; Vanelle, Patrice Tetrahedron, 2009 , vol. 65, # 1 p. 200 - 205

~51%

2-(4-methylphenyl)sulfonyl-1-(4-nitrophenyl)ethanone结构式

2-(4-methylphen...

56858-46-9

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文献:Jiang, Heng; Cheng, Yuanzheng; Zhang, Yan; Yu, Shouyun European Journal of Organic Chemistry, 2013 , # 24 p. 5485 - 5492

~69%

2-(4-methylphenyl)sulfonyl-1-(4-nitrophenyl)ethanone结构式

2-(4-methylphen...

56858-46-9

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文献:Kamigata, Nobumasa; Udodaira, Kumiko; Shimizu, Toshio Journal of the Chemical Society - Perkin Transactions 1, 1997 , # 5 p. 783 - 786

~%

2-(4-methylphenyl)sulfonyl-1-(4-nitrophenyl)ethanone结构式

2-(4-methylphen...

56858-46-9

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文献:Makosza, Mieczyslaw; Ziobrowski, Tadeusz; Kwast, Andrzej Tetrahedron, 1998 , vol. 54, # 24 p. 6811 - 6816

~%

2-(4-methylphenyl)sulfonyl-1-(4-nitrophenyl)ethanone结构式

2-(4-methylphen...

56858-46-9

查看详情
文献:Kamigata, Nobumasa; Udodaira, Kumiko; Shimizu, Toshio Journal of the Chemical Society - Perkin Transactions 1, 1997 , # 5 p. 783 - 786

~%

2-(4-methylphenyl)sulfonyl-1-(4-nitrophenyl)ethanone结构式

2-(4-methylphen...

56858-46-9

查看详情
文献:Curti; Laget; Carle, A. Ortiz; Gellis; Vanelle European Journal of Medicinal Chemistry, 2007 , vol. 42, # 6 p. 880 - 884

~%

2-(4-methylphenyl)sulfonyl-1-(4-nitrophenyl)ethanone结构式

2-(4-methylphen...

56858-46-9

查看详情
文献:Savka; Pohodylo; Obushak Russian Journal of Organic Chemistry, 2014 , vol. 50, # 2 p. 296 - 297 Zhurnal Organicheskoi Khimii, 2014 , vol. 50, # 2 p. 303 - 304,2

~%

2-(4-methylphenyl)sulfonyl-1-(4-nitrophenyl)ethanone结构式

2-(4-methylphen...

56858-46-9

查看详情
文献:Savka; Pohodylo; Obushak Russian Journal of Organic Chemistry, 2014 , vol. 50, # 2 p. 296 - 297 Zhurnal Organicheskoi Khimii, 2014 , vol. 50, # 2 p. 303 - 304,2

~%

2-(4-methylphenyl)sulfonyl-1-(4-nitrophenyl)ethanone结构式

2-(4-methylphen...

56858-46-9

查看详情
文献:Ferdinand,G. et al. Justus Liebigs Annalen der Chemie, 1976 , p. 1713 - 1726

 靶点实验

查看更多实验

本表记录该化合物靶点、体外体内实验、生物测定实验相关实验数据。

实验名称:Primary cell-based high-throughput screening assay for identification of compounds th...
来源:Johns Hopkins Ion Channel Center
靶标:regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id:JHICC_RGS_Act_HTS
实验名称:Luminescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id:OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
实验名称:QFRET-based biochemical primary high throughput screening assay to identify exosite i...
来源:The Scripps Research Institute Molecular Screening Center
靶标:disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id:ADAM17_INH_QFRET_1536_1X%INH PRUN
实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_AG_FLUO8_1536_1X%ACT PRUN
实验名称:uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
来源:Burnham Center for Chemical Genomics
靶标:N/A
External Id:BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
实验名称:High throughput fluorescence intensity-based biochemical assay to screen for small mo...
来源:University of Pittsburgh Molecular Library Screening Center
靶标:furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id:MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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:Fluorescence-based cell-based primary high throughput screening assay to identify pos...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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:RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id:SIAE_INH_FP_1536_1X%INH PRUN
实验名称:Absorbance-based primary biochemical high throughput screening assay to identify acti...
来源:The Scripps Research Institute Molecular Screening Center
靶标:caspase-3 preproprotein [Homo sapiens]
External Id:PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN
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 英文别名

本表罗列该化合物全部英文别名、系统命名、CAS别名等英文名称集合。

4-Nitrophenacyl 4'-tolyl sulfone
HMS2791M05

 常见问题

本部分为该化合物相关常见问答,包含基础参数、性状、储存条件等高频咨询问题与对应答案。

Q: 56858-46-9的InChIKey是什么?
A: 56858-46-9InChIKey为YJNHDLDVJDLJAO-UHFFFAOYSA-N。
Q: 56858-46-9的分子量是多少?
A: 56858-46-9分子量为319.33200。
Q: 56858-46-9的英文名称是什么?
A: 56858-46-9英文名称为2-(4-methylphenyl)sulfonyl-1-(4-nitrophenyl)ethanone。
Q: 56858-46-9的上游原料有哪些?
A: 56858-46-9相关上游原料(CAS):99-81-0;98-59-9;7569-26-8;555-16-8;100-19-6;824-79-3;106-45-6。
Q: 56858-46-9的LogP(油水分配系数)是多少?
A: 56858-46-9LogP(油水分配系数)为4.16380。
Q: 56858-46-9的中文名称是什么?
A: 56858-46-9的中文名称为56858-46-9。
Q: 56858-46-9的极性表面积PSA是多少?
A: 56858-46-9极性表面积PSA为105.41000。
Q: 56858-46-9有哪些英文别名?
A: 56858-46-9英文别名有:4-Nitrophenacyl 4'-tolyl sulfone、 HMS2791M05。
Q: 56858-46-9的CAS号是多少?
A: 56858-46-9CAS号为56858-46-9。
Q: 56858-46-9的SMILES表达式是什么?
A: 56858-46-9SMILES表达式为Cc1ccc(S(=O)(=O)CC(=O)c2ccc([N+](=O)[O-])cc2)cc1。
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