2H-Pyrrole-2,2-dicarboxylicacid, 3,5-diphenyl-, 2,2-diethyl ester结构式
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常用名 | 2H-Pyrrole-2,2-dicarboxylicacid, 3,5-diphenyl-, 2,2-diethyl ester | 英文名 | 2H-Pyrrole-2,2-dicarboxylicacid, 3,5-diphenyl-, 2,2-diethyl ester |
|---|---|---|---|---|
| CAS号 | 65939-65-3 | 分子量 | 363.40600 | |
| 密度 | 1.14g/cm3 | 沸点 | 455ºC at 760 mmHg | |
| 分子式 | C22H21NO4 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 165.6ºC |
摘要:diethyl 3,5-二苯基吡咯-2,2-二羧酸酯(英文名:2H-吡咯-2,2-二羧酸,3,5-二苯基-,2,2-二乙酯,CAS号:65939-65-3,分子式:C22H21NO4,分子量:363.40600),仅供科研实验参考,不作为医疗诊断与用药依据。
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 | diethyl 3,5-diphenylpyrrole-2,2-dicarboxylate |
|---|---|
| 英文别名 | 更多 |
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。
| 密度 | 1.14g/cm3 |
|---|---|
| 沸点 | 455ºC at 760 mmHg |
| 分子式 | C22H21NO4 |
| 分子量 | 363.40600 |
| 闪点 | 165.6ºC |
| 精确质量 | 363.14700 |
| PSA | 64.96000 |
| LogP | 2.87350 |
| InChIKey | PCHPLEPVFXIKPP-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C1(C(=O)OCC)N=C(c2ccccc2)C=C1c1ccccc1 |
| 折射率 | 1.569 |
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。
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~63%
2H-Pyrrole-2,2-... 65939-65-3 |
| 文献:Sammes, Michael P.; Chung, Margaret W. L.; Katritzky, Alan R. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1985 , p. 1773 - 1780 |
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~46%
2H-Pyrrole-2,2-... 65939-65-3 |
| 文献:Sammes, Michael P.; Chung, Margaret W. L.; Katritzky, Alan R. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1985 , p. 1773 - 1780 |
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~%
2H-Pyrrole-2,2-... 65939-65-3 |
| 文献:Sammes, Michael P.; Chung, Margaret W. L.; Katritzky, Alan R. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1985 , p. 1773 - 1780 |
|
~%
2H-Pyrrole-2,2-... 65939-65-3 |
| 文献:Sammes, Michael P.; Chung, Margaret W. L.; Katritzky, Alan R. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1985 , p. 1773 - 1780 |
|
~%
2H-Pyrrole-2,2-... 65939-65-3 |
| 文献:Sammes, Michael P.; Chung, Margaret W. L.; Katritzky, Alan R. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1985 , p. 1773 - 1780 |
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~%
2H-Pyrrole-2,2-... 65939-65-3 |
| 文献:Sammes, Michael P.; Chung, Margaret W. L.; Katritzky, Alan R. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1985 , p. 1773 - 1780 |
本表列出该化学品对应的上游起始原料以及下游衍生产物清单。
| 上游产品 5 | |
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| 下游产品 2 | |
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。
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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
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实验名称:Counterscreen for inhibitors of 5-meCpG-binding domain protein 2 (MBD2): TRFRET-based...
来源:The Scripps Research Institute Molecular Screening Center
靶标:E3 ubiquitin-protein ligase UHRF1 isoform 1 [Homo sapiens]
External Id:UHRF1-CPGDNA_INH_TRFRET_1536_1X%INH CSRUN for MBD2-CPGDNA INH
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实验名称:Luminescence-based cell-based primary high throughput screening assay for inhibitors ...
来源:The Scripps Research Institute Molecular Screening Center
靶标:nuclear receptor subfamily 0 group B member 1 [Homo sapiens]
External Id:DAX1-FULL_INH_LUMI_1536_1X%INH PRUN
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实验名称:uHTS identification of small molecule modulators of Rev-erb Alpha.
来源:Burnham Center for Chemical Genomics
靶标:N/A
External Id:SBCCG-A1016-RevErbaLBD-Primary-Assay
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实验名称:HTS for Bacterial rRNA inhibitors Measured in Microorganism-Based System Using Plate ...
来源:Broad Institute
靶标:N/A
External Id:7056-01_Inhibitor_SinglePoint_HTS_Activity
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实验名称:Fluorescence-based biochemical high throughput primary assay to identify inhibitors o...
来源:The Scripps Research Institute Molecular Screening Center
靶标:Phospholipase C, beta 3 (phosphatidylinositol-specific) [Homo sapiens]
External Id:PLCB3_INH_QFRET_1536_1X%INH PRUN
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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:ADAM10 [Homo sapiens]
External Id:ADAM10_INH_QFRET_1536_1X%INH PRUN
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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:Protein DAF-12, isoform a [Caenorhabditis elegans]
External Id:HGDAF12_AG_LUMI_1536_1X%ACT PRUN
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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
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实验名称:Epi Absorbance-based biochemical primary high throughput screening assay to identify ...
来源:The Scripps Research Institute Molecular Screening Center
靶标:tyrosyl-DNA phosphodiesterase 2 [Homo sapiens]
External Id:TPD2_INH_EPIABS_1536_1X%INH PRUN
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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。
| 5,5-Diethoxycarbonyl-2,4-diphenyl-2H-pyrrol |
| 3,5-diphenyl-pyrrole-2,2-dicarboxylic acid diethyl ester |
| diethyl 3,5-diphenyl-2H-pyrrole-2,2-dicarboxylate |
| 3,5-diphenyl 2H pyrrole-2,2-dicarboxylate de diethyle |
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: 65939-65-3的下游产品有哪些? |
| A: 65939-65-3相关下游产品(CAS):91307-93-6;53778-26-0。 |
| Q: 65939-65-3的SMILES表达式是什么? |
| A: 65939-65-3SMILES表达式为CCOC(=O)C1(C(=O)OCC)N=C(c2ccccc2)C=C1c1ccccc1。 |
| Q: 65939-65-3的英文名称是什么? |
| A: 65939-65-3英文名称为diethyl 3,5-diphenylpyrrole-2,2-dicarboxylate。 |
| Q: 65939-65-3的CAS号是多少? |
| A: 65939-65-3CAS号为65939-65-3。 |
| Q: 65939-65-3的上游原料有哪些? |
| A: 65939-65-3相关上游原料(CAS):65939-64-2;13433-00-6;6829-40-9;94-41-7;120-46-7。 |
| Q: 65939-65-3的分子量是多少? |
| A: 65939-65-3分子量为363.40600。 |
| Q: 65939-65-3的LogP(油水分配系数)是多少? |
| A: 65939-65-3LogP(油水分配系数)为2.87350。 |
| Q: 65939-65-3的沸点是多少? |
| A: 65939-65-3沸点为455ºC at 760 mmHg。 |
| Q: 65939-65-3的分子式是什么? |
| A: 65939-65-3分子式为C22H21NO4。 |
| Q: 65939-65-3有哪些英文别名? |
| A: 65939-65-3英文别名有:5,5-Diethoxycarbonyl-2,4-diphenyl-2H-pyrrol、 3,5-diphenyl-pyrrole-2,2-dicarboxylic acid diethyl ester、 diethyl 3,5-diphenyl-2H-pyrrole-2,2-dicarboxylate、 3,5-diphenyl 2H pyrrole-2,2-dicarboxylate de diethyle。 |