4-甲基-2-苯基-1,3-噁唑-5-羧酸甲酯结构式
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常用名 | 4-甲基-2-苯基-1,3-噁唑-5-羧酸甲酯 | 英文名 | methyl 4-methyl-2-phenyl-1,3-oxazole-5-carboxylate |
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| CAS号 | 22260-83-9 | 分子量 | 217.22100 | |
| 密度 | N/A | 沸点 | N/A | |
| 分子式 | C12H11NO3 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | N/A |
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。
| 中文名 | 4-甲基-2-苯基-1,3-噁唑-5-羧酸甲酯 |
|---|---|
| 英文名 | methyl 4-methyl-2-phenyl-1,3-oxazole-5-carboxylate |
| 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。
| 分子式 | C12H11NO3 |
|---|---|
| 分子量 | 217.22100 |
| 精确质量 | 217.07400 |
| PSA | 52.33000 |
| LogP | 2.43660 |
| InChIKey | QFCRXAFDRRPINE-UHFFFAOYSA-N |
| SMILES | COC(=O)c1oc(-c2ccccc2)nc1C |
本表记录该化合物安全警示、防护措施、禁配物、处置方式等安全相关参考信息。
| 海关编码 | 2934999090 |
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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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~17%
4-甲基-2-苯基-1,3-噁... 22260-83-9 |
| 文献:Shi, Baolu; Blake, Alexander J.; Lewis, William; Campbell, Ian B.; Judkins, Brian D.; Moody, Christopher J. Journal of Organic Chemistry, 2010 , vol. 75, # 1 p. 152 - 161 |
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~72%
4-甲基-2-苯基-1,3-噁... 22260-83-9 |
| 文献:Liu, Xin; Cheng, Ran; Zhao, Feifei; Zhang-Negrerie, Daisy; Du, Yunfei; Zhao, Kang Organic Letters, 2012 , vol. 14, # 21 p. 5480 - 5483,4 Title/Abstract Full Text Show Details Liu, Xin; Cheng, Ran; Zhao, Feifei; Zhang-Negrerie, Daisy; Du, Yunfei; Zhao, Kang Organic Letters, 2012 , vol. 14, # 21 p. 5480 - 5483 |
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~%
4-甲基-2-苯基-1,3-噁... 22260-83-9 |
| 文献:Liu, Xin; Cheng, Ran; Zhao, Feifei; Zhang-Negrerie, Daisy; Du, Yunfei; Zhao, Kang Organic Letters, 2012 , vol. 14, # 21 p. 5480 - 5483,4 Title/Abstract Full Text Show Details Liu, Xin; Cheng, Ran; Zhao, Feifei; Zhang-Negrerie, Daisy; Du, Yunfei; Zhao, Kang Organic Letters, 2012 , vol. 14, # 21 p. 5480 - 5483 |
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~%
4-甲基-2-苯基-1,3-噁... 22260-83-9 |
| 文献:Liu, Xin; Cheng, Ran; Zhao, Feifei; Zhang-Negrerie, Daisy; Du, Yunfei; Zhao, Kang Organic Letters, 2012 , vol. 14, # 21 p. 5480 - 5483,4 Title/Abstract Full Text Show Details Liu, Xin; Cheng, Ran; Zhao, Feifei; Zhang-Negrerie, Daisy; Du, Yunfei; Zhao, Kang Organic Letters, 2012 , vol. 14, # 21 p. 5480 - 5483 |
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~%
4-甲基-2-苯基-1,3-噁... 22260-83-9 |
| 文献:Vernin,G. et al. Helvetica Chimica Acta, 1977 , vol. 60, p. 284 - 297 |
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~49%
4-甲基-2-苯基-1,3-噁... 22260-83-9 |
| 文献:Cynkowski, Tadeusz; Cynkowska, Grazyna; Ashton, Paul; Crooks, Peter A. Journal of the Chemical Society, Chemical Communications, 1995 , # 22 p. 2335 - 2336 |
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。
| 4-甲基-2-苯基-1,3-噁唑-5-羧酸甲酯上游产品 8 | |
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| 4-甲基-2-苯基-1,3-噁唑-5-羧酸甲酯下游产品 1 | |
本表展示该化学品海关编码、关税、监管条件等进出口海关参考数据。
| 海关编码 | 2934999090 |
|---|---|
| 中文概述 | 2934999090. 其他杂环化合物. 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 | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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: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
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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:mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id:OPRM1-OPRD1_AG_LUMI_1536_1X%ACT 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: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: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
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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
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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.
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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
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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:Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
来源:Broad Institute
靶标:N/A
External Id:7124-01_Inhibitor_SinglePoint_HTS_Activity
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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
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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。
| 4-Methyl-5-methoxycarbonyl-2-phenyl-oxazol |
| 4-methyl-2-phenyl-oxazole-5-carboxylic acid methyl ester |
| methyl 4-methyl-2-phenyloxazole-5-carboxylate |
| ethyl4-Methyl-2-phenyloxazole-5-carboxylate |
| methyl 2-phenyl-4-methyloxazole-5-carboxylate |
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: 4-甲基-2-苯基-1,3-噁唑-5-羧酸甲酯的英文名称是什么? |
| A: 4-甲基-2-苯基-1,3-噁唑-5-羧酸甲酯英文名称为methyl 4-methyl-2-phenyl-1,3-oxazole-5-carboxylate。 |
| Q: 4-甲基-2-苯基-1,3-噁唑-5-羧酸甲酯的分子式是什么? |
| A: 4-甲基-2-苯基-1,3-噁唑-5-羧酸甲酯分子式为C12H11NO3。 |
| Q: 4-甲基-2-苯基-1,3-噁唑-5-羧酸甲酯有哪些英文别名? |
| A: 4-甲基-2-苯基-1,3-噁唑-5-羧酸甲酯英文别名有:4-Methyl-5-methoxycarbonyl-2-phenyl-oxazol、 4-methyl-2-phenyl-oxazole-5-carboxylic acid methyl ester、 methyl 4-methyl-2-phenyloxazole-5-carboxylate、 ethyl4-Methyl-2-phenyloxazole-5-carboxylate、 methyl 2-phenyl-4-methyloxazole-5-carboxylate。 |
| Q: 4-甲基-2-苯基-1,3-噁唑-5-羧酸甲酯的上游原料有哪些? |
| A: 4-甲基-2-苯基-1,3-噁唑-5-羧酸甲酯相关上游原料(CAS):24762-04-7;55-21-0;1404376-54-0;14205-39-1;105-45-3;67-56-1;79-37-8;2198-64-3。 |
| Q: 4-甲基-2-苯基-1,3-噁唑-5-羧酸甲酯的下游产品有哪些? |
| A: 4-甲基-2-苯基-1,3-噁唑-5-羧酸甲酯相关下游产品(CAS):248924-06-3。 |
| Q: 4-甲基-2-苯基-1,3-噁唑-5-羧酸甲酯的LogP(油水分配系数)是多少? |
| A: 4-甲基-2-苯基-1,3-噁唑-5-羧酸甲酯LogP(油水分配系数)为2.43660。 |
| Q: 4-甲基-2-苯基-1,3-噁唑-5-羧酸甲酯的分子量是多少? |
| A: 4-甲基-2-苯基-1,3-噁唑-5-羧酸甲酯分子量为217.22100。 |
| Q: 4-甲基-2-苯基-1,3-噁唑-5-羧酸甲酯的SMILES表达式是什么? |
| A: 4-甲基-2-苯基-1,3-噁唑-5-羧酸甲酯SMILES表达式为COC(=O)c1oc(-c2ccccc2)nc1C。 |
| Q: 4-甲基-2-苯基-1,3-噁唑-5-羧酸甲酯的CAS号是多少? |
| A: 4-甲基-2-苯基-1,3-噁唑-5-羧酸甲酯CAS号为22260-83-9。 |
| Q: 22260-83-9的中文名称是什么? |
| A: 22260-83-9的中文名称为4-甲基-2-苯基-1,3-噁唑-5-羧酸甲酯。 |