(3-hydroxy-propyl)-malonic acid diethyl ester | 73691-01-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (3-hydroxy-propyl)-malonic acid diethyl ester
• 英文别名: (3-Hydroxy-propyl)-malonsaeure-diaethylester；diethyl 2-(3-hydroxypropyl)propane-1,3-dioate；Diethyl(3-hydroxypropyl)malonat；Diethyl 2-(3-hydroxypropyl)propanedioate
• CAS: 73691-01-7
• 化学式: C₁₀H₁₈O₅
• 分子量: 218.25
• InChiKey: PPPDSAOLWPGOBE-UHFFFAOYSA-N

物化性质

• 沸点：
  151-154 °C(Press: 5 Torr)
• 密度：
  1.099±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  15
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (3-hydroxy-propyl)-malonic acid diethyl ester 在 氨 、 水 作用下， 生成 (3-hydroxy-propyl)-malonic acid diamide
  参考文献：
  名称：

  Warner; Moe, Journal of the American Chemical Society, 1948, vol. 70, p. 3471

  摘要：

  DOI：
• 作为产物：
  描述：

  sodium diethylmalonate 在 乙醇 、 镍 作用下， 80.0 ℃ 、10.3 MPa 条件下， 生成 (3-hydroxy-propyl)-malonic acid diethyl ester
  参考文献：
  名称：

  Warner; Moe, Journal of the American Chemical Society, 1948, vol. 70, p. 3471

  摘要：

  DOI：

文献信息

• Arachidonic acid analogues, processes for their preparation and their
  申请人：Beecham Group p.l.c.

  公开号：US04699995A1

  公开（公告）日：1987-10-13

  A compound of formula (I): ##STR1## or a salt thereof, in which Y is a group--O(CH.sub.2).sub.m CH<, --(CH.sub.2).sub.m CH<, or --CH.dbd.C< where m is an integer of from 1 to 5, n is an integer of from 4 to 12, each of R.sup.1 and R.sup.2, which may be the same or different, represents hydrogen or C.sub.1-6 alkyl, X represents a double or triple bond, and each of A and B represents hydrogen when X is a double bond, or both A and B are absent when X is a triple bond, is useful in treating allergic diseases.

  式(I)的化合物：##STR1##或其盐，其中Y是一个基团--O(CH.sub.2).sub.m CH<, --(CH.sub.2).sub.m CH<, 或--CH.dbd.C<，其中m是1到5的整数，n是4到12的整数，R.sup.1和R.sup.2分别表示氢或C.sub.1-6烷基，X表示双键或三键，A和B在X为双键时表示氢，或者当X为三键时，A和B都不存在，对于治疗过敏性疾病有用。
• Arachidonic acid analogues, processes for their preparation and their use in medicine
  申请人：BEECHAM GROUP PLC

  公开号：EP0142145A2

  公开（公告）日：1985-05-22

  A compound of formula (I): or a salt thereof, in which Y is a group where m is an integer of from 1 to 5, n is an integer of from 4 to 12, each of R' and R2, which may be the same or different, represents hydrogen or C1-6 alkyl, X represents a double or triple bond, and each of A and B represents hydrogen when X is a double bond, or both A and B are absent when X is a triple bond, is useful in treating allergic diseases.

  式（I）化合物：或其盐，其中 Y 是一个基团，其中 m 是 1 至 5 的整数，n 是 4 至 12 的整数，R'和 R2（可以相同或不同）各自代表氢或 C1-6 烷基，X 代表双键或三键，当 X 是双键时，A 和 B 各自代表氢，当 X 是三键时，A 和 B 都不代表氢，该化合物可用于治疗过敏性疾病。
• Novel non-nucleobase inhibitors of Staphylococcus aureus DNA polymerase IIIC
  作者：Yannick Rose、Stéphane Ciblat、Ranga Reddy、Adam C. Belley、Evelyne Dietrich、Dario Lehoux、Geoffrey A. McKay、Hugo Poirier、Adel Rafai Far、Daniel Delorme

  DOI：10.1016/j.bmcl.2005.11.009

  日期：2006.2

  The preparation and biological evaluation of 5-substituted-6-hydroxy-2-(anilino)pyrimidinones as a new class of DNA polymerase IIIC inhibitors, required for the replication of chromosomal DNA in Gram-positive bacteria, are described. These new dGTP competitive inhibitors displayed good levels of in vitro inhibition and antibacterial activity against Staphylococcus aureus. A new class of dATP competitive inhibitors, 6-substituted-2-amino-5-alkyl-pyrimidin-4-ones, whose antibacterial activity was unaffected by serum, were identified. (c) 2005 Elsevier Ltd. All rights reserved.
• HAKIMELAHI G. H.; JUST G., TETRAHEDRON LETT., 1979, NO 38, 3645-3648
  作者：HAKIMELAHI G. H.、 JUST G.

  DOI：——

  日期：——
• US4699995A
  申请人：——

  公开号：US4699995A

  公开（公告）日：1987-10-13