triethylorthoacetate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 原羧酸衍生物
• 英文名称: triethylorthoacetate
• 英文别名: Triethylorthoaceate；2,2-diethylbutane-1,1,1-triolate
• 化学式: C₈H₁₅O₃
• 分子量: 159.205
• InChiKey: ROCSEYQVAGEUMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  69.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-氨基-6-氟苯甲基胺 、 triethylorthoacetate 在 乙醚 作用下， 以 乙醇 为溶剂， 反应 14.0h， 以to give the title compound as white solid (0.74 g, 57%)的产率得到5-氟-2-甲基-1,4-二氢喹唑啉
  参考文献：
  名称：

  Heterocyclic compounds possessing affinity at 5HT1 -type receptors and use thereof in therapy

  摘要：

  本文披露了化合物(I)的公式及其药学上可接受的盐：其中A为可选取的取代苯基、萘基、吲哚基、喹啉基、喹唑啉基、吲唑基、异喹啉基或苯并呋喃基；b为1、2或3，c为1、2或3，其中b+c为2、3、4或5；X为碳，Y为CH，为双键，e为0；或X为碳，Y为CH2或氧，为单键，e为1；或X为氮，Y为CH2，为单键，e为0；R1为氢、氰基、卤素、C1-6烷基、C1-6烷氧基、C1-6烷氧基C1-6烷基、NHCOCH3或OCONR5R6，其中R5和R6独立地为氢或C1-6烷基；R2为卤素、氰基或C1-6烷氧基；d为0、1、2或3；R3为氢、C1-6烷基、C1-6酰基、氟C1-6酰基、C1-6烷基磺酰基、氟C1-6烷基磺酰基、氨基甲酰基、C1-6烷基氨基甲酰基或芳基C1-6烷基；而R4与其连接的氮原子形成一个可选的取代的5到7成员杂环基团融合到苯环上，但当化合物(I)具有以下结构时：其中A、b、c、R1、e、X、Y、R2和d如上定义，而R3为氢、C1-6烷基或芳基C1-6烷基，则(i)X为碳，Y为CH，为双键；或(ii)b和c都为1；或(iii)在哌嗪环中氧代取代的碳原子相邻的碳原子，标记为“★”，被取代。本文还披露了制备这些化合物的方法以及这些化合物在治疗中的用途，特别是用于中枢神经系统障碍，如抑郁症或焦虑症。

  公开号：

  US07244726B2
• 作为试剂：
  描述：

  (1R,2S,3S,5S)-3-(acetoxymethyl)-5-(4,5-dichloro-2-nitroanilino)-1,2-cyclopentanediyl diacetate 、 异丙醇 在 镍 氢气 、 triethylorthoacetate 、 甲烷磺酸 、 1,4-二氧六环 、 silica gel 、 chloroform methanol 、 MeOH EtOH water 作用下， 25.0 ℃ 、45.96 MPa 条件下， 反应 24.5h， 以gave (±)-(1R*,2S*,3S*,5S*)-5-(5,6-dichloro-2-methyl-1H-benzimidazol-1-yl)-3-(hydroxymethyl)-1,2-cyclopentanediol as fine white crystals (0.482 g, 67%), m.p. 222°-226° C.的产率得到(+/-)-(1R*,2S*,3S*,5S*)-5-(5,6-dichloro-2-methyl-1H-benzimidazol-1-yl)-3-(hydroxymethyl)-1,2-cyclopentanediol
  参考文献：
  名称：

  Therapeutic nucleosides-uses

  摘要：

  含有取代苯并咪唑碱基的抗病毒核苷类似物，其在传统糖残基的位置上连接一个碳环，特别是其中苯并咪唑碱基的2-、5-和6-位取代为卤素的类似物，对乙型肝炎病毒感染具有活性。

  公开号：

  US05399580A1

文献信息

• Neutrophil inhibitors to reduce inflammatory response
  申请人：The Procter & Gamble Company

  公开号：US20040006104A1

  公开（公告）日：2004-01-08

  The invention provides novel compounds selected from the group consisting of: 1 The compounds of the present invention are useful for the treatment and prevention of a variety of diseases and conditions associated with undesirable or abnormal inflammatory responses, such as ischemia-reperfusion injury. Accordingly, the invention further provides pharmaceutical compositions comprising these compounds. The invention still further provides methods of treatment or prevention for the above disorders using theses compounds or the compositions containing them.

  该发明提供了从以下组合中选择的新化合物：1本发明的化合物对治疗和预防与不良或异常炎症反应相关的各种疾病和病况，如缺血再灌注损伤，具有益处。因此，该发明还提供了包括这些化合物的药物组合物。该发明还提供了使用这些化合物或含有它们的组合物进行上述疾病的治疗或预防的方法。
• Method of preparing 3-morpholino-2-cyanoacrylamide
  申请人：Burroughs Wellcome Co.

  公开号：US04146713A1

  公开（公告）日：1979-03-27

  A compound ##STR1## where R' is hydrogen or lower alkyl, the compound being usable as an intermediate in the preparation of 4-hydroxypyrazolo [3,4-d]pyrimidine (Allopurinol) and its useful relatives. A method of preparing ##STR2## which comprises reacting R'C(OR).sub.3, morpholine and cyanoacetamide where R' is hydrogen or lower alkyl and R' is lower alkyl.

  一种化合物##STR1##其中R'为氢或低碳基，该化合物可用作制备4-羟基吡唑并[3,4-d]嘧啶（丙戊酸）及其有用衍生物的中间体。一种制备##STR2##的方法，包括反应R'C（OR）.sub.3，吗啉和氰乙酰胺，其中R'为氢或低碳基，R'为低碳基。
• Substituted lactose derivatives
  申请人：Glycomed Incorporated

  公开号：US05591835A1

  公开（公告）日：1997-01-07

  Compounds and methods of making them having the following formula are described which bind to selectin receptors and thus modulate the course of inflammation, cancer and related diseases by modulating cell-cell adhesion events: ##STR1## wherein each R.sup.1 is independently H or lower alkyl (1-4C); R.sup.2 is H, OH or lower alkyl (1-4C), or a lipophilic group such as a higher alkyl group (5-15C), alkylaryl or one or more additional saccharide residues; R.sup.3 is a negatively charged moiety including SO.sub.4.sup.2-, PO.sub.4.sup.2-, or related group; Y is H or lower alkyl (1-4C); and X is H or --CHR.sub.4 (CHOR.sup.1).sub.2 CHR.sup.5 OR.sup.1 wherein R.sup.4 and R.sup.5 are each independently H, lower alkyl (1-4C), or taken together result in a five- or six-membered ring optionally containing a heteroatom selected from the group consisting of O, S, and NR.sup.1 ; the five- or six-membered ring optionally substituted with one substituent selected from the group consisting of R.sup.1, CH.sub.2 OR.sup.1, OR.sup.1, OOCR.sup.1, NR.sup.1.sub.2, NHCOR.sup.1, and SR.sup.1 with the proviso that if X represents a hexose substituent R.sup.3 and R.sup.4, taken together, cannot provide a hexose substituent.

  本文描述了具有以下公式的化合物及其制备方法，这些化合物能够结合选择素受体，从而通过调节细胞-细胞粘附事件来调节炎症、癌症及相关疾病的进程：##STR1## 其中每个R.sup.1独立地是H或较低的烷基（1-4C）；R.sup.2是H、OH或较低的烷基（1-4C），或是一个亲脂性基团，例如较高的烷基基团（5-15C）、烷基芳基或一个或多个额外的糖残基；R.sup.3是一个带有负电荷的基团，包括SO.sub.4.sup.2-、PO.sub.4.sup.2-或相关基团；Y是H或较低的烷基（1-4C）；X是H或--CHR.sub.4(CHOR.sup.1).sub.2CHR.sup.5OR.sup.1，其中R.sup.4和R.sup.5各自独立地是H、较低的烷基（1-4C），或者一起形成一个五元或六元环，可选地含有来自O、S和NR.sup.1的杂原子；这个五元或六元环可选地被一个来自R.sup.1、CH.sub.2OR.sup.1、OR.sup.1、OOCR.sup.1、NR.sup.1.sub.2、NHCOR.sup.1和SR.sup.1的取代基所取代，但前提是如果X代表一个己糖取代基，则R.sup.3和R.sup.4一起不能提供一个己糖取代基。
• Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals
  申请人：Aventis Pharma Deutschland GmbH

  公开号：US20040198731A1

  公开（公告）日：2004-10-07

  The present invention relates to aminoalkyl-substituted aromatic bicyclic compounds of formula I, 1 which are valuable pharmaceutically active compounds that are suitable, for example, for the treatment of obesity, type II diabetes, arteriosclerosis, high blood pressure, paresthesia, depression, anxiety, anxiety neuroses, schizophrenia, disorders associated with the circadian rhythm, and drug abuse, as well as normalizing lipid metabolism.

  本发明涉及式I，1的氨基烷基取代芳香二环化合物，这些化合物是有价值的药物活性化合物，例如，适用于肥胖症，2型糖尿病，动脉硬化，高血压，感觉异常，抑郁症，焦虑症，焦虑神经症，精神分裂症，与昼夜节律相关的疾病以及药物滥用的治疗，同时可以规范脂质代谢。
• Heterocyclic compounds possessing affinity at 5ht1-type receptors and use thereof in therapy
  申请人：Harrington P Frank

  公开号：US20050085458A1

  公开（公告）日：2005-04-21

  Compounds of formula (I) and pharmaceutically acceptable salts thereof are disclosed: wherein A is optionally substituted phenyl, naphthyl, indolyl, quinolinyl, quinazolinyl, indazolyl, isoquinolinyl or benzofuranyl; b is 1, 2 or 3 and c is 1, 2 or 3, wherein b+c is 2, 3, 4 or 5; X is carbon, Y is CH, is a double bond and e is 0; or X is carbon, Y is CH 2 or oxygen, is a single bond and e is 1; or X is nitrogen, Y is CH 2 , is a single bond and e is 0; R1 is hydrogen, cyano, halogen, C 1-6 alkyl, C 1-6 alkoxy, C 1-6 alkoxyC 1-6 alkyl, NHCOCH 3 or OCONR5R6, wherein R5 and R6 are independently hydrogen or C 1-6 alkyl; R2 is halogen, cyano or C 1-6 alkoxy; d is 0, 1, 2 or 3; R3 is hydrogen, C 1-6 alkyl, C 1-6 alkanoyl, fluoroC 1-6 alkanoyl, C 1-6 alkylsulfonyl, fluoroC 1-6 alkylsulfonyl, carbamoyl, C 1-6 alkylcarbamoyl or arylC 1-6 alkyl; and R4, together with the nitrogen atom to which it is attached, forms an optionally substituted 5 to 7 membered heterocyclic group fused to the benzene ring, provided that when a compound of formula (I) has the following structure: wherein A, b, c, R1, e, X, Y, R2 and d are as defined above and R3 is hydrogen, C 1-6 alkyl or arylC 1-6 alkyl, then (i) X is carbon, Y is CH and is a double bond; or (ii) b and c are both 1; or (iii) the carbon atom adjacent to the oxo-substituted carbon atom in the morpholinyl ring, marked “*”, is substituted. Methods of preparing the compounds and uses of the compounds in therapy, in particular for a CNS disorder such as depression or anxiety, are also disclosed.

  公开了式（I）的化合物及其药学上可接受的盐：其中，A是可选择取代的苯基，萘基，吲哚基，喹啉基，喹唑啉基，吲唑基，异喹啉基或苯并呋喃基；b为1、2或3，c为1、2或3，其中b+c为2、3、4或5；X为碳，Y为CH，为双键，e为0；或X为碳，Y为CH2或氧，为单键，e为1；或X为氮，Y为CH2，为单键，e为0；R1为氢、氰、卤素、C1-6烷基、C1-6烷氧基、C1-6烷氧基C1-6烷基、NHCOCH3或OCONR5R6，其中R5和R6独立地为氢或C1-6烷基；R2为卤素、氰或C1-6烷氧基；d为0、1、2或3；R3为氢、C1-6烷基、C1-6酰基、氟代C1-6酰基、C1-6烷基磺酰基、氟代C1-6烷基磺酰基、氨基甲酰基、C1-6烷基氨基甲酰基或芳基C1-6烷基；而R4与其连接的氮原子形成一个可选择取代的5到7元杂环基，与苯环融合，但当式（I）的化合物具有以下结构时，则需满足以下条件：其中，A、b、c、R1、e、X、Y、R2和d如上所定义，而R3为氢、C1-6烷基或芳基C1-6烷基，那么（i）X为碳，Y为CH，为双键；或（ii）b和c均为1；或（iii）在吗啉环中与氧代取代碳原子相邻的碳原子，标记为“*”，被取代。还公开了制备这些化合物的方法以及这些化合物在治疗中的用途，特别是在治疗中枢神经系统疾病如抑郁症或焦虑症中的用途。