5-乙基-3-异噁唑羧酸乙酯 | 90607-22-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 5-乙基-3-异噁唑羧酸乙酯
• 中文别名: 5-乙基异恶唑-3-甲酸乙酯；5-乙基异恶唑-3-羧酸乙酯；5-乙基-1,2-恶唑-3-甲酸乙酯；5-乙基-3-异恶唑甲酸乙酯
• 英文名称: 5-ethylisoxazole-3-carboxylic acid ethyl ester
• 英文别名: ethyl 5-ethyl-1,2-oxazole-3-carboxylate；ethyl 5-ethylisoxazole-3-carboxylate；5-ethyl-isoxazole-3-carboxylic acid ethyl ester
• CAS: 90607-22-0
• 化学式: C₈H₁₁NO₃
• mdl: MFCD08701218
• 分子量: 169.18
• InChiKey: UBWKBDZVYQXLBF-UHFFFAOYSA-N

物化性质

• 沸点：
  93-95 °C(Press: 5 Torr)
• 密度：
  1.108±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  52.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-乙基-3-异噁唑羧酸乙酯 在 水 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 16.0h， 以72%的产率得到5-乙基异恶唑-3-甲酸
  参考文献：
  名称：

  [EN] SUBSTITUTED PIPERIDINE COMPOUNDS
  [FR] COMPOSÉS PIPÉRIDINES SUBSTITUÉS

  摘要：

  本公开提供具有式（I）的取代哌啶化合物，以及其药学上可接受的盐和溶剂化合物，其中R1、B、X和Z如规范中所述。本公开还涉及使用式I的化合物治疗对SMYD蛋白质的阻断具有响应的疾病，如SMYD3或SMYD2。本公开的化合物特别适用于治疗癌症。

  公开号：

  WO2016040515A1
• 作为产物：
  描述：

  2,4-二氧代己酸乙酯 在 盐酸羟胺 作用下， 以 乙醇 为溶剂， 反应 1.5h， 以81%的产率得到5-乙基-3-异噁唑羧酸乙酯
  参考文献：
  名称：

  Positive allosteric modulators of the nicotinic acetylcholine receptor

  摘要：

  这项发明提供了I式化合物： 这些化合物可以是药用盐或组合物的形式，可以是纯对映体形式或混合物，对治疗已知涉及α7 nAChR的疾病或症状的药物非常有用。

  公开号：

  US20030236287A1

文献信息

• [EN] MANNOSE DERIVATIVES USEFUL FOR TREATING PATHOLOGIES ASSOCIATED WITH ADHERENT E. COLI<br/>[FR] DÉRIVÉS DE MANNOSE UTILES POUR LE TRAITEMENT DE PATHOLOGIES ASSOCIÉES À E. COLI ADHÉRENTS
  申请人：ENTEROME

  公开号：WO2017021549A1

  公开（公告）日：2017-02-09

  The present invention relates to mannose derivatives of formula (I): wherein R1 represents H, CO-(C1-C6)-alkyl or CO-alkylaryl, Y represents a single bond, CH2, O, NR3, S, A represents O, NH or S, X represents H and X' represents OH or X and X' taken together with the carbon atom bearing them form a CO group, R2 represents H, a linear or branched (C1-C6 )-alkyl or CF3, R3 represents H, a C1-C6 alkyl, a CO-(C1-C6 )-alkyl, CF3 or COCF3, and R is as described in claim 1. The mannose derivatives of formulae (I) are useful for treating pathologies associated with the presence of adherent Escherichia coli (AEC), in particular inflammatory bowel diseases (IBD), such as Crohn's disease and ulcerative colitis; a urinary tract infection, in particular painful bladder syndrome and cystitis, more particularly interstitial cystitis; irritable bowel syndrome; metabolic diseases such as metabolic obesity, diabetes, hypercholesterolemia; autoimmune inflammatory diseases; and colorectal cancer, in particular colon cancer.

  本发明涉及式(I)的甘露糖衍生物：其中R1代表H、CO-(C1-C6)-烷基或CO-烷基芳基，Y代表单键、CH2、O、NR3、S，A代表O、NH或S，X代表H，X'代表OH或X和X'与它们相连的碳原子形成CO基团，R2代表H、线性或支链(C1-C6)-烷基或CF3，R3代表H、C1-C6烷基、CO-(C1-C6)-烷基、 或CO ，R如权利要求1中所述。式(I)的甘露糖衍生物对治疗与粘附性大肠埃希菌（AEC）存在相关的病理病变有用，特别是炎症性肠病（IBD），如克罗恩病和溃疡性结肠炎；尿路感染，特别是疼痛性膀胱综合征和膀胱炎，更特别是间质性膀胱炎；肠易激综合征；代谢性疾病，如代谢性肥胖、糖尿病、高胆固醇血症；自身免疫性炎症性疾病；以及结直肠癌，特别是结肠癌。
• HETEROCYCLIC SUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND THEIR USE
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20160237059A1

  公开（公告）日：2016-08-18

  The present application relates to novel heterocyclically substituted 6-(trifluoromethyl)pyrimidin-4(3H)-one derivatives, to processes for their preparation, to their use alone or in combinations for the treatment and/or prevention of diseases, and to their use for preparing medicaments for the treatment and/or prevention of diseases, in particular for treatment and/or prevention of cardiovascular, renal, inflammatory and fibrotic diseases.

  本申请涉及新颖的杂环取代的6-(三氟甲基)嘧啶-4(3H)-酮衍生物，其制备方法，它们单独或组合用于治疗和/或预防疾病，以及它们用于制备用于治疗和/或预防疾病的药物，特别是用于治疗和/或预防心血管、肾脏、炎症和纤维化疾病。
• Regiospecific synthesis of () unsaturated 3,5-dialkyl-isoxazoles and derived leukotriene analogues using phosphine oxides
  作者：Eric W. Collington、Julian G. Knight、Christopher J. Wallis、Stuart Warren

  DOI：10.1016/s0040-4039(01)80641-9

  日期：1989.1

  Isoxazoles with 3-alkyl and 5--alkenyl substituents and can be made regiospecifically from phosphine oxides by the Horner-Wittig reaction. The isoxazole ring in the products is cleaved by Mo(CO)6.

  具有3-烷基和5-链烯基取代基的异恶唑可以通过Horner-Wittig反应由膦氧化物区域特异性地制备。产物中的异恶唑环被Mo（CO）6裂解。
• METHOD FOR CONTROLLING ARTHROPOD PEST
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20150344466A1

  公开（公告）日：2015-12-03

  An amide compound represented by formula (I): [wherein A represents a 3- to 7-membered saturated heterocyclic ring which contains, as ring-forming component(s), one or more atoms or groups selected from the group consisting of an oxygen atom and —S(O) t —, t represents 0, etc., R 1 and R 2 are the same or different and represent a hydrogen atom, etc., n represents 0, etc., the following formula (II): represents a 5-membered aromatic ring, in which Z represents a nitrogen atom or a carbon atom and X 1 , X 2 and X 3 are the same or different and represent a nitrogen atom, etc., R 3 and R 4 are the same or different and represent a hydrogen atom, etc., m represents 0 to 2, Q represents one group selected from group A or a C1 to C8 chain hydrocarbon group optionally having one group selected from group A, Y represents an oxygen atom, etc., u represents 0, etc., and v represents 0, etc.] has excellent arthropod pest controlling effects.

  化合物式(I)所代表的酰胺化合物：[其中A代表一个3到7个成员的饱和杂环环，该环包含作为环构成组分之一或多个原子或基团，所选自氧原子和—S（O）t—群，t代表0等；R1和R2相同或不同，代表氢原子等；n代表0等；下列式子(II)代表一个5个成员的芳香环，在该环中Z代表一个氮原子或一个碳原子，X1、X2和X3相同或不同，代表氮原子等，R3和R4相同或不同，代表氢原子等，m代表0到2，Q代表从群A中选择的一个群或一个C1到C8链烃基团，该基团可以选择从群A中选择的一个群，Y代表氧原子等，u代表0等，v代表0等]具有优良的节肢动物害虫控制效果。
• ACRYLIC ESTER DERIVATIVE, AND APPLICATION AND PRODUCTION INTERMEDIATE THEREOF
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP3992178A1

  公开（公告）日：2022-05-04

  The present invention provides a compound represented by formula (I) [wherein L represents an oxygen atom or CH2, E represents a C2-C10 chain hydrocarbon group or the like, R1 represents a C1-C3 chain hydrocarbon group or the like, R2 represents a C1-C3 chain hydrocarbon group or the like, and n is 0, 1, 2 or 3.] or its N oxide or agriculturally acceptable salt, which is a compound that have excellent pests controlling effects.

  本发明提供了一种由式（I）代表的化合物[其中 L 代表氧原子或 CH2，E 代表 C2-C10 链烃基或类似基团，R1 代表 C1-C3 链烃基或类似基团，R2 代表 C1-C3 链烃基或类似基团，n 为 0、1、2 或 3。