7-羟基庚酸苯甲基酯 | 59379-00-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 7-羟基庚酸苯甲基酯
• 英文名称: benzyl 7-hydroxyheptanoate
• CAS: 59379-00-9
• 化学式: C₁₄H₂₀O₃
• 分子量: 236.311
• InChiKey: QOHOZLMRQAWMDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-羟基庚酸苯甲基酯 在 溶剂黄146 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 三乙胺 、 cesium fluoride 、 lithium chloride 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 生成 benzyl 9-(methylamino)-8,9-dioxononanoate
  参考文献：
  名称：

  α-Keto amides as inhibitors of histone deacetylase

  摘要：

  alpha-Keto ester and amides were found to be potent inhibitors of historic deacetylase. Nanomolar inhibitors against the isolated enzyme and sub-micromolar inhibitors of cellular proliferation were obtained. The alpha-keto amide 30 also exhibited significant anti-tumor effects in an in vivo tumor model. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00685-1
• 作为产物：
  描述：

  6-庚烯酸 在 potassium carbonate 、 diborane(6) 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 反应 19.0h， 生成 7-羟基庚酸苯甲基酯
  参考文献：
  名称：

  通过 CH 官能化催化控制非对映选择性合成环胺

  摘要：

  由于区分多个相对强的 sp3 CH 键的挑战，这些键的化学行为通常只有细微的差别，因此适用于非活化脂肪族系统的可靠区域和立体化学技术在很大程度上仍然难以捉摸。然而，使用导向基团和/或助剂的方法已经出现，但施加了实际限制，特别是在复杂分子合成中。本报告描述了一种催化剂控制的区域选择性和非对映选择性合成 N-未保护的吡咯烷，通过 dirhodium 催化分子内氮烯插入 sp3 CH 键。反应在室温下进行，无需外部氧化剂、氮烯稳定基团或导向官能团。

  DOI：

  10.1021/jacs.7b09901

文献信息

• Inhibitors of histone deacetylase
  申请人：——

  公开号：US20020177594A1

  公开（公告）日：2002-11-28

  Compounds having the formula 1 or therapeutically acceptable salts thereof, are histone deacetylase (HDAC) inhibitors. Preparation of the compounds, compositions containing the compounds, and treatment of diseases using the compounds are disclosed.

  具有以下化学式的化合物或其治疗上可接受的盐是组蛋白去乙酰化酶（HDAC）抑制剂。本文揭示了该化合物的制备、含有该化合物的组合物以及使用该化合物治疗疾病的方法。
• METHOD FOR PREPARING 6-AMINOHEXYL LACTOSIDE-NOTA CONJUGATE
  申请人：Institute of Nuclear Energy Research, Atomic Energy Council, Executive Yuan, R.O.C.

  公开号：US20170183372A1

  公开（公告）日：2017-06-29

  The present invention provides a method for preparing a 6-aminohexyl lactoside-NOTA conjugate. The preparation method comprises brominating perbenzoylated lactose with hydrobromic acid; glycosylating 6-azidohexanol to obtain 6-azidohexyl perbenzoyl lactoside; and deprotecting this precursor in two steps to obtain 6-aminohexyl lactoside and conjugating 6-aminohexyl lactoside to NCS-benzyl-NODA GA (i.e. 2,2′-(7-(1-carboxy-4-((4-isothiocyanate benzyl) amino)-4-oxobutyl)-1,4,7-triazonane-1,4-diyl) diacetic acid) in triethyl amine as an alkaline solvent, to obtain a 6-aminohexyl lactoside-NCS-benzyl-NODA GA conjugate. In this novel preparation method, no deglycosylated side product is produced, such that the yield is considerably increased to 46%. Therefore, the method is suitable for future massive production since the requirement for repeated preparations for massive production is reduced, and the impurities produced in the previously scaled-up preparation process are not present.

  本发明提供了一种制备6-氨基己基乳糖苷-NOTA共轭物的方法。制备方法包括用氢溴酸溴化过苯甲酰化乳糖；将6-叠氮己醇糖基化以获得6-叠氮己基过苯甲酰化乳糖苷；并通过两步去保护该前体以获得6-氨基己基乳糖苷，并将6-氨基己基乳糖苷与NCS-苄基-NODA GA（即2,2′-(7-(1-羧基-4-((4-异硫氰苯基)氨基)-4-氧代丁基)-1,4,7-三氮杂环-1,4-二基)二乙酸）在三乙胺作为碱性溶剂中进行共轭，以获得6-氨基己基乳糖苷-NCS-苄基-NODA GA共轭物。在这种新颖的制备方法中，不会产生去糖基化的副产物，使得产率显著提高至46%。因此，该方法适用于未来的大规模生产，因为减少了大规模生产的重复制备要求，并且以前扩大规模制备过程中产生的杂质不再存在。
• Pyrrolidine derivatives
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US03976660A1

  公开（公告）日：1976-08-24

  Pyrrolidine derivatives which have the formula ##SPC1## Wherein R and R.sub.1 each is hydrogen, --(CH.sub.2).sub.6 COOH, --(CH.sub.2).sub.6 COO-- lower alkyl, or --(CH.sub.2).sub.6 COO benzyl and R.sub.2 is hydrogen, --CO--O--(CH.sub.2).sub.5 CH.sub.3, --CO--NH--(CH.sub.2).sub.5 CH.sub.3 --(CH.sub.2).sub.7 CH.sub.3 or --CH=CH--CH(OH)--(CH.sub.2).sub.4 --CH.sub.3, at least one of R and R.sub.1 is hydrogen and R.sub.1 and R.sub.2 are not both hydrogen, are new compounds which are useful as inhibitors of prostaglandin dehydrogenase and as potentiators of prostaglandin activity.

  吡咯烷衍生物具有以下结构式 ##SPC1## 其中R和R.sub.1分别是氢，--(CH.sub.2).sub.6 COOH，--(CH.sub.2).sub.6 COO-- 较低的烷基，或--(CH.sub.2).sub.6 COO 苄基，R.sub.2是氢，--CO--O--(CH.sub.2).sub.5 CH.sub.3，--CO--NH--(CH.sub.2).sub.5 CH.sub.3，--(CH.sub.2).sub.7 CH.sub.3或--CH=CH--CH(OH)--(CH.sub.2).sub.4 --CH.sub.3，R和R.sub.1中至少一个是氢，R.sub.1和R.sub.2不同时为氢，这些新化合物可作为前列腺素脱氢酶的抑制剂和前列腺素活性增强剂。
• Method for preparing 6-aminohexyl lactoside-NOTA conjugate
  申请人：Institute of Nuclear Energy Research, Atomic Energy Council, Executive Yuan, R.O.C.

  公开号：US10081653B2

  公开（公告）日：2018-09-25

  The present invention provides a method for preparing a 6-aminohexyl lactoside-NOTA conjugate. The preparation method comprises brominating perbenzoylated lactose with hydrobromic acid; glycosylating 6-azidohexanol to obtain 6-azidohexyl perbenzoyl lactoside; and deprotecting this precursor in two steps to obtain 6-aminohexyl lactoside and conjugating 6-aminohexyl lactoside to NCS-benzyl-NODA GA (i.e. 2,2′-(7-(1-carboxy-4-((4-isothiocyanate benzyl) amino)-4-oxobutyl)-1,4,7-triazonane-1,4-diyl) diacetic acid) in triethyl amine as an alkaline solvent, to obtain a 6-aminohexyl lactoside-NCS-benzyl-NODA GA conjugate. In this novel preparation method, no deglycosylated side product is produced, such that the yield is considerably increased to 46%. Therefore, the method is suitable for future massive production since the requirement for repeated preparations for massive production is reduced, and the impurities produced in the previously scaled-up preparation process are not present.

  本发明提供了一种制备 6-氨基己基乳糖苷-NOTA 共轭物的方法。即以三乙胺为碱性溶剂的 2,2′-(7-(1-羧基-4-((4-异硫氰酸苄基)氨基)-4-氧代丁基)-1,4,7-三唑烷-1,4-二基)二乙酸)，得到 6-氨基己基乳糖苷-NCS-苄基-NODA GA 共轭物。在这种新颖的制备方法中，不会产生脱糖基化的副产品，因此产率大大提高，达到 46%。因此，该方法适用于未来的大规模生产，因为它减少了大规模生产对重复制备的要求，而且不存在以前按比例放大的制备过程中产生的杂质。
• US3976660A
  申请人：——

  公开号：US3976660A

  公开（公告）日：1976-08-24