1,1,7-heptanetricarboxylic acid triethyl ester | 55502-79-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1,1,7-heptanetricarboxylic acid triethyl ester
• 英文别名: heptane-1,1,7-tricarboxylic acid triethyl ester；Heptan-1,1,7-tricarbonsaeure-triaethylester；Triethyl heptane-1,1,7-tricarboxylate
• CAS: 55502-79-9
• 化学式: C₁₆H₂₈O₆
• 分子量: 316.395
• InChiKey: YUNCXLSNVIKKDW-UHFFFAOYSA-N

物化性质

• 沸点：
  180-185 °C
• 密度：
  1.0316 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  22
• 可旋转键数：
  15
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,1,7-heptanetricarboxylic acid triethyl ester 在 水 作用下， 生成 壬二酸
  参考文献：
  名称：

  Process for preparing azelaic acid

  摘要：

  公开了一种制备癸二酸的方法。具体而言，制备癸二酸的方法是一种无臭氧的过程。制备癸二酸的方法包括在有机磺酸存在下进行四羧酸的脱羧步骤。

  公开号：

  US20210047257A1
• 作为产物：
  描述：

  7-溴庚酸 在 乙醇 、 硫酸 、 sodium iodide 、 苯 作用下， 生成 1,1,7-heptanetricarboxylic acid triethyl ester
  参考文献：
  名称：

  Ames et al., Journal of the Chemical Society, 1950, p. 174,176

  摘要：

  DOI：

文献信息

• Some ω-(2-amino-6-hydroxy-4-oxo-3,4-dihydro-5-pyrimidinyl) alkanoic acids, their derivatives and analogues
  作者：Miroslav Semonský、Antonín Černý、Jiří Křepelka、Rudolf Kotva、Bohumil Kakáč、Jiří Holubek、Jaroslav Vachek

  DOI：10.1135/cccc19803583

  日期：——

  Condensation of 1,1,ω-alkanetricarboxylic acids triethyl esters XIV-XXI with guanidine gave ω-(2-amino-6-hydroxy-4-oxo-3,4-dihydro-5-pyrimidinyl) alkanoic acids I-IV, VI-VIII, XIII of which some were converted to derivatives (ethyl ester V, N-acyl derivatives XI and XII). Similarly, triester XVII gave by condensation with urea or thiourea the analogous 5-substituted derivatives of barbituric acid X, and thiobarbituric acid IX, respectively. The structures of selected compounds of this group (IV, V, IX-XI and XIII) were determined by spectral methods. Of interest, from the pharmacological point of view, has proved compound IV, which exhibited a significant antineoplastic effect on some experimental tumours in mice and rats, and enhanced the action of some current cytostatics.

  1,1,ω-烷基三羧酸三乙酯与胍啉缩合得到了ω-(2-氨基-6-羟基-4-氧代-3,4-二氢-5-嘧啶基) 烷酸，其中一些转化为衍生物（乙酯酯，N-酰基衍生物和）。类似地，三酯与尿素或硫脲缩合得到了相应的5-取代衍生物。这个组合物的结构（IV、V、IX-XI和XIII）通过光谱方法确定。其中，显示出显著抗肿瘤作用的化合物是IV，对小鼠和大鼠的一些实验性肿瘤有显著的抗肿瘤作用，并增强了某些当前细胞毒药物的作用。
• Intermediates for prostanoic acids
  申请人：American Home Products Corporation

  公开号：US04007171A1

  公开（公告）日：1977-02-08

  15- And/or 16-alkyl derivatives of 9,15-dioxygenated prost-13-enoic, prosta-4,13-dienoic and prosta-5,13-dienoic acid, lower alkyl esters thereof and homologs thereof, as well as a process for preparing these derivatives are disclosed. The compounds possess hypotensive, antihypertensive, bronchospasmolytic, gastric acid secretion inhibiting, abortifacient, estrus synchronizing and ovulation regulating properties. The compounds also inhibit the aggregation of platelets and promote the disaggregation of aggregated platelets. Methods for their use are also disclosed.

  本文披露了9,15-二氧代前列腺-13-烯酸、前列腺-4,13-二烯酸和前列腺-5,13-二烯酸的15-和/或16-烷基衍生物，以及其较低的烷基酯和同系物，以及制备这些衍生物的方法。这些化合物具有降压、抗高血压、支气管痉挛解除、抑制胃酸分泌、引产、发情同步和促排卵的特性。这些化合物还能抑制血小板聚集并促进聚集血小板的解聚。同时，本文还披露了它们的使用方法。
• Alkyl derivatives of 4,5-dehydro PGE.sub.1
  申请人：American Home Products Corporation

  公开号：US04048329A1

  公开（公告）日：1977-09-13

  15- And/or 16-alkyl derivatives of 9,15-dioxygenated prost-13-enoic, prosta-4,13-dienoic and prosta-5,13-dienoic acid, lower alkyl esters thereof and homologs thereof, as well as a process for preparing these derivatives are disclosed. The compounds possses hypotensive, antihypertensive, bronchospasmolytic, gastric acid secretion inhibiting, abortifacient, estrus synchronizing and ovulation regulating properties. The compounds also inhibit the aggregation of platelets and promote the disaggregation of aggregated platelets. Methods for their use are also disclosed.

  本文介绍了9,15-二氧代前列腺-13-烯酸、前列腺-4,13-二烯酸和前列腺-5,13-二烯酸的15-和/或16-烷基衍生物、其低烷基酯和同系物，以及制备这些衍生物的方法。这些化合物具有降压、抗高血压、支气管痉挛解除、抑制胃酸分泌、引产、发情同步和促排卵等性质。这些化合物还可以抑制血小板聚集并促进已聚集的血小板解聚。本文还介绍了它们的使用方法。
• Method of inducing abortion using alkyl derivatives of prostanoic acids
  申请人：American Home Products Corporation

  公开号：US04092427A1

  公开（公告）日：1978-05-30

  15- And/or 16-alkyl derivatives of 9,15-dioxygenated prost-13-enoic, prosta-4,13-dienoic and prosta-5,13-dienoic acid, lower alkyl esters thereof and homologs thereof, as well as a process for preparing these derivatives are disclosed. The compounds possess hypotensive, anti-hypertensive, bronchospasmolytic, gastric acid secretion inhibiting, abortifacient, estrus synchronizing and ovulation regulating properties. The compounds also inhibit the aggregation of platelets and promote the disaggregation of aggregated platelets. Methods for their use are also disclosed.

  本发明公开了9,15-二氧代前列腺-13-烯酸、前列腺-4,13-二烯酸和前列腺-5,13-二烯酸的15-和/或16-烷基衍生物，以及其较低烷基酯和同源物，以及制备这些衍生物的方法。这些化合物具有降压、抗高血压、支气管痉挛松弛、抑制胃酸分泌、流产、发情同步和排卵调节作用。这些化合物还能抑制血小板聚集并促进已聚集的血小板解聚。本发明还公开了它们的使用方法。
• 239. Synthetic long-chain aliphatic compounds. Part IV. Some methyl-substituted oleic acids
  作者：D. E. Ames、R. E. Bowman

  DOI：10.1039/jr9510001087

  日期：——