ethyl 3-oxo-5-(3-nitrophenyl)-4-(E)-pentenoate | 70076-42-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: ethyl 3-oxo-5-(3-nitrophenyl)-4-(E)-pentenoate
• 英文别名: ethyl (E)-3-oxo-5-(m-nitrophenyl)pent-4-enoate；3-oxo-1t-(3-nitro-phenyl)-penten-(1)-oic acid-(5)-ethyl ester；3-Oxo-1t-(3-nitro-phenyl)-penten-(1)-saeure-(5)-aethylester；ethyl 5-(3-nitrophenyl)-3-oxo-4-pentenoate；ethyl (E)-5-(3-nitrophenyl)-3-oxopent-4-enoate
• CAS: 70076-42-5
• 化学式: C₁₃H₁₃NO₅
• 分子量: 263.25
• InChiKey: GASYWQNGISZARS-VOTSOKGWSA-N

物化性质

• 熔点：
  208 °C
• 沸点：
  415.7±35.0 °C(Predicted)
• 密度：
  1.260±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  89.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 3-oxo-5-(3-nitrophenyl)-4-(E)-pentenoate 在 乙醚 、 水 作用下， 生成 3-hydroxy-1t.7t-bis-(3-nitro-phenyl)-heptatrien-(1.3ξ.6)-one-(5)
  参考文献：
  名称：

  Lampe; Macierewicz, Roczniki Chemii, 1938, vol. 18, p. 668,670

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 溶剂黄146 作用下， 生成 ethyl 3-oxo-5-(3-nitrophenyl)-4-(E)-pentenoate
  参考文献：
  名称：

  Lampe; Macierewicz, Roczniki Chemii, 1938, vol. 18, p. 668,670

  摘要：

  DOI：

文献信息

• Benzoxazepinones and their use as squalene synthase inhibitors
  申请人：——

  公开号：US20030078251A1

  公开（公告）日：2003-04-24

  There is disclosed a compound represented by the formula [I]: 1 wherein R 1 is optionally substituted 1-carboxyethyl group, optionally substituted alkyl-sulfonyl group, optionally substituted (carboxy-cycloalkyl)-alkyl group, —X 1 —X 2 —Ar—X 3 —X 4 —COOH (wherein X 1 and X 4 are a bond or alkylene group, X 2 and X 3 are a bond, —O—, —S—, Ar is divalent aromatic group etc.), R 2 is alkyl group optionally substituted with alkanoyloxy group and/or hydroxy group, R 3 is alkyl group, and W is halogen atom, etc., or a salt thereof. The compound has the cholesterol lowering activity and the triglyceride lowering activity and is useful for preventing and/or treating hyperlipidemia.

  披露了一种由公式[I]表示的化合物： 1 其中R 1 是可选地取代的1-羧乙基，可选地取代的烷基亚磺酰基，可选地取代的(羧基环烷基)-烷基，—X 1 —X 2 —Ar—X 3 —X 4 —COOH(其中X 1 和X 4 是键或亚烷基，X 2 和X 3 是键，—O—，—S—，Ar是二价芳香族等)，R 2 是可选地由酰氧基和/或羟基取代的烷基，R 3 是烷基，W是卤素原子等，或其盐。该化合物具有降低胆固醇活性和降低甘油三酯活性，用于预防或治疗高脂血症。
• Preparation of γ,δ-unsaturated-β-ketoesters: Lewis acid-catalysed C H insertion of ethyl diazoacetate into α,β-unsaturated aldehydes
  作者：Hirenkumar Gandhi、Timothy P. O'Sullivan

  DOI：10.1016/j.tetlet.2017.07.095

  日期：2017.9

  synthesis of γ,δ-unsaturated-β-keto esters was achieved by the Lewis acid-catalysed direct CH insertion of an α-diazoester into various α,β-substituted-unsaturated aldehydes. CH insertion of ethyl diazoacetate into alkyl- and aryl-substituted α,β-unsaturated aldehydes was performed under mild conditions to afford the corresponding γ,δ-unsaturated-β-keto esters in moderate to high yields as a mixture

  γ，δ-不饱和-β-酮酸酯的合成是通过路易斯酸催化的α-重氮酯直接C H插入各种α，β-取代的不饱和醛中来实现的。在温和的条件下将重氮基乙酸乙酯C H插入烷基和芳基取代的α，β-不饱和醛中，以中等至高收率的酮/烯醇混合物形式提供相应的γ，δ-不饱和-β-酮酸酯互变异构体。
• Studies on Cerebral Protective Agents. VI. Synthesis of Novel 4-(4-Nitrobenzoyl)pyrimidine and Related Compounds with Anti-anoxic Activity.
  作者：Mitsuru OHKUBO、Atsushi KUNO、Hiroyoshi SAKAI、Yoshie SUGIYAMA、Hisashi TAKASUGI

  DOI：10.1248/cpb.42.1279

  日期：——

  Novel pyrimidine derivatives, possessing linkages between the aryl group and the pyrimidine nucleus at the C-4 position, were prepared and tested for anti-anoxic (AA) activity in mice. Among them, 5-(4-methylpiperazin-1-ylcarbonyl)-4-(4-nitrobenzoyl)-2-phenylpyrimidine (2f, FR76659) possessed significant AA activity (10-100 mg/kg, i.p.) with low acute toxicity (LD50>1000 mg/kg, i.p.). Structure-activity relationships in regard to AA activity of this series of compounds were examined.

  制备了新型嘧啶衍生物，在芳基和 C-4 位嘧啶核之间具有连接，并在小鼠中测试了其抗缺氧 (AA) 活性。其中，5-(4-甲基哌嗪-1-基羰基)-4-(4-硝基苯甲酰基)-2-苯基嘧啶(2f，FR76659)具有显着的AA活性(10-100 mg/kg，i.p.)且急性毒性低( LD50>1000 mg/kg，腹腔注射）。检查了该系列化合物的 AA 活性的构效关系。
• MEYER, HORST;SCHWENNER, ECKHARD;KNORR, ANDREAS
  作者：MEYER, HORST、SCHWENNER, ECKHARD、KNORR, ANDREAS

  DOI：——

  日期：——
• BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1292585A1

  公开（公告）日：2003-03-19