Benzyl 4-(oxiran-2-yl)butanoate | 137238-88-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Benzyl 4-(oxiran-2-yl)butanoate
• CAS: 137238-88-1
• 化学式: C₁₃H₁₆O₃
• 分子量: 220.268
• InChiKey: FWEBJQSNXYEZFL-UHFFFAOYSA-N

物化性质

• 沸点：
  315.8±15.0 °C(Predicted)
• 密度：
  1.126±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Benzyl 4-(oxiran-2-yl)butanoate 在 palladium on activated charcoal N-甲基吗啉 、 4-二甲氨基吡啶 、 aluminum oxide 、 氢气 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 、 二氯甲烷 为溶剂， 25.0 ℃ 、101.33 kPa 条件下， 反应 144.0h， 生成 (2R,9S,12S,13R)-12-(cyclohexylmethyl)-13-hydroxy-2-(4-morpholinomethyl)-9-<(phenoxyacetyl)amino>-6,10,14-trioxo-1,7-dioxa-11-azacyclotetradecane
  参考文献：
  名称：

  高效，口服活性的二酯大环人肾素抑制剂。

  摘要：

  用酯键取代通用结构1和2的大环肾素抑制剂中的一个酰胺键，可得到谷氨酸衍生的抑制剂3和丝氨酸衍生的抑制剂4。尽管这种氧-氮交换对谷氨酸系列的效价影响很小，在丝氨酸系列中，效力大大提高。在本系列中，事实证明，14元环化合物比相应的13元环衍生物更有效。在对应于P2'的位置上环的取代通常增加了效力。通过不对称合成和X射线晶体学分析，对于4-吗啉代甲基衍生物（4o），在该中心的绝对构型显示为R。用各种取代基取代抑制剂4o的“ Boc-Phe”部分会导致亚纳摩尔抑制剂，其中一种（“

  DOI：

  10.1021/jm00099a004

文献信息

• 10a-Azalide Compound
  申请人：Sugimoto Tomohiro

  公开号：US20090281292A1

  公开（公告）日：2009-11-12

  [Object]: To provide a compound having a novel structure effective against Hemophilus influenzae and erythromycin resistant bacteria (for example, resistant pneumococci and streptococci) as well as against conventional erythromycin sensitive bacteria. [Solution]: A novel 10a-azalide compound represented by the formula (I), a pharmaceutically acceptable salt thereof or a solvate thereof, or an intermediate for the preparation of the same. The compound of the present invention has superior antibacterial activity against Hemophilus influenzae , erythromycin resistant pneumococci and the like, and therefore, the compound can be used as a therapeutic agent of infectious diseases.

  【目标】提供一种具有新结构的化合物，对流感嗜血杆菌和红霉素耐药菌（例如耐药肺炎球菌和链球菌）以及传统的红霉素敏感菌具有有效作用。 【解决方案】本发明提供了一种新型10a-氮杂环十六元化合物，其化学式为（I），其药学上可接受的盐或其溶剂化物，或其制备的中间体。该化合物对流感嗜血杆菌、红霉素耐药性肺炎球菌等具有卓越的抗菌活性，因此可以作为治疗传染病的药物。
• 10a-AZALIDE COMPOUND
  申请人：TAISHO PHARMACEUTICAL CO., LTD

  公开号：EP1985620A1

  公开（公告）日：2008-10-29

  [Object]: To provide a compound having a novel structure effective against Hemophilus influenzae and erythromycin resistant bacteria (for example, resistant pneumococci and streptococci) as well as against conventional erythromycin sensitive bacteria. [Solution]: A novel 10a-azalide compound represented by the formula (I), a pharmaceutically acceptable salt thereof or a solvate thereof, or an intermediate for the preparation of the same. The compound of the present invention has superior antibacterial activity against Hemophilus influenzae, erythromycin resistant pneumococci and the like, and therefore, the compound can be used as a therapeutic agent of infectious diseases.

  [目的]：提供一种具有新型结构的化合物，该化合物对流感嗜血杆菌和红霉素耐药菌（例如耐药肺炎球菌和链球菌）以及传统的红霉素敏感菌有效。 [解决方案］一种由式（I）代表的新型 10a-azalide 化合物、其药学上可接受的盐或其溶液，或制备其的中间体。本发明的化合物对流感嗜血杆菌、耐红霉素肺炎球菌等具有优异的抗菌活性，因此可用作传染性疾病的治疗剂。
• ALIPHATIC POLYCARBONATE
  申请人：SUMITOMO SEIKA CHEMICALS CO., LTD.

  公开号：US20220098364A1

  公开（公告）日：2022-03-31

  An object of this invention is to find a method for introducing a functional group into an aliphatic polycarbonate without impairing the excellent thermal decomposition property of the aliphatic polycarbonate. An aliphatic polycarbonate comprising a constituent unit represented by formula (1): wherein R 1 , R 2 , and R 3 are identical or different, and each represents a hydrogen atom, a C 1-10 alkyl group optionally substituted with one or more substituents, or a C 6-20 aryl group optionally substituted with one or more substituents, wherein two groups from among R 1 to R 3 , taken together with the carbon atom or carbon atoms to which these groups are attached, may form a substituted or unsubstituted, saturated or unsaturated 3- to 10-membered aliphatic ring; and X represents a divalent group containing one or more heteroatoms or an alkylene group having 3 or more carbon atoms, and a constituent unit represented by formula (2): wherein R 4 , R 5 , R 6 , and R 7 are identical or different, and each represents a hydrogen atom, a C 1-10 alkyl group optionally substituted with one or more substituents, or a C 6-20 aryl group optionally substituted with one or more substituents, wherein two groups from among R 4 to R 7 , taken together with the carbon atom or carbon atoms to which these groups are attached, may form a substituted or unsubstituted, saturated or unsaturated 3- to 10-membered aliphatic ring, the content of the constituent unit represented by formula (1) being 0.1 mol % or more and 1.5 mol % or less, based on the total amount of the constituent units of formula (1) and formula (2).
• US8097708B2
  申请人：——

  公开号：US8097708B2

  公开（公告）日：2012-01-17
• Highly potent, orally active diester macrocyclic human renin inhibitors
  作者：Ann E. Weber、Mark G. Steiner、Philip A. Krieter、Adria E. Colletti、James R. Tata、Thomas A. Halgren、Richard G. Ball、John J. Doyle、Terry W. Schorn

  DOI：10.1021/jm00099a004

  日期：1992.10

  moiety of inhibitor 4o with a variety of substituents led to subnanomolar inhibitors, one of which (the "3(S)-quinuclidinyl-Phe" derivative 33) lowered blood pressure 20 mmHg and completely inhibited plasma renin activity for 6 h in sodium-depleted rhesus monkeys. This compound proved to have limited bioavailability (1% in rats) due to cleavage of the serine ester bond and rapid hepatic extraction.

  用酯键取代通用结构1和2的大环肾素抑制剂中的一个酰胺键，可得到谷氨酸衍生的抑制剂3和丝氨酸衍生的抑制剂4。尽管这种氧-氮交换对谷氨酸系列的效价影响很小，在丝氨酸系列中，效力大大提高。在本系列中，事实证明，14元环化合物比相应的13元环衍生物更有效。在对应于P2'的位置上环的取代通常增加了效力。通过不对称合成和X射线晶体学分析，对于4-吗啉代甲基衍生物（4o），在该中心的绝对构型显示为R。用各种取代基取代抑制剂4o的“ Boc-Phe”部分会导致亚纳摩尔抑制剂，其中一种（“