(RS)-2-benzyldecanoic acid | 15327-17-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: (RS)-2-benzyldecanoic acid
• 英文别名: 2-benzyldecanoic acid；2-benzyl-decanoic acid；2-Benzyl-decansaeure
• CAS: 15327-17-0
• 化学式: C₁₇H₂₆O₂
• 分子量: 262.392
• InChiKey: ZVXUXVZPYBWFTJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  19
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (RS)-2-benzyldecanoic acid 在 sodium hydroxide 、 PPA 作用下， 以 (2S)-N-methyl-1-phenylpropan-2-amine hydrate 、 苯 为溶剂， 生成 2,3-dihydro-2-octyl-1H-inden-1-one
  参考文献：
  名称：

  Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method

  摘要：

  公开号：

  EP0546338B1
• 作为产物：
  描述：

  diethyl 2-benzyl-2-octylmalonate 在 sodium hydroxide 作用下， 生成 (RS)-2-benzyldecanoic acid
  参考文献：
  名称：

  Ukita et al., Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1951, vol. 71, p. 289,291

  摘要：

  DOI：

文献信息

• PhSO₂SCF₂H: A Shelf-Stable, Easily Scalable Reagent for Radical Difluoromethylthiolation
  作者：Dianhu Zhu、Xinxin Shao、Xin Hong、Long Lu、Qilong Shen

  DOI：10.1002/anie.201609468

  日期：2016.12.19

  A new shelf‐stable and easily scalable difluoromethylthiolating reagent S‐(difluoromethyl) benzenesulfonothioate (PhSO2SCF2H) was developed. PhSO2SCF2H is a powerful reagent for radical difluoromethylthiolation of aryl and alkyl boronic acids, decarboxylative difluoromethylthiolation of aliphatic acids, and a phenylsulfonyl‐difluoromethylthio difunctionalization of alkenes under mild reaction conditions

  开发了一种新的货架稳定且易于扩展的二氟甲基硫醇化试剂S-（二氟甲基）苯磺酸硫（PhSO 2 SCF 2 H）。PhSO 2 SCF 2 H是用于在温和的反应条件下进行芳基和烷基硼酸的自由基二氟甲硫基化，脂肪酸的脱羧二氟甲硫基化以及烯烃的苯磺酰基-二氟甲硫基二官能化的强大试剂。
• Silver-Catalyzed Decarboxylative Trifluoromethylthiolation of Aliphatic Carboxylic Acids in Aqueous Emulsion
  作者：Feng Hu、Xinxin Shao、Dianhu Zhu、Long Lu、Qilong Shen

  DOI：10.1002/anie.201402573

  日期：2014.6.10

  A silver‐catalyzed decarboxylative trifluoromethylthiolation of secondary and tertiary carboxylic acids under mild conditions tolerates a wide range of functional groups. The reaction was dramatically accelerated by its performance in an aqueous emulsion, which was formed by the addition of sodium dodecyl sulfate to water. It was proposed that the radical, which was generated from the silver‐catalyzed

  在温和条件下，银催化仲和叔羧酸的脱羧三氟甲基硫醇化反应可耐受各种官能团。反应在水乳状液中的性能极大地促进了反应，该乳状液是通过向水中添加十二烷基硫酸钠形成的。有人提出，由“水包油”液滴中的银催化的脱羧反应产生的自由基很容易与三氟甲基硫醇化试剂反应形成产物。
• [EN] PHENYLKETONE CARBOXYLATE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF OSTEOPOROSIS<br/>[FR] COMPOSÉS CARBOXYLATE DE PHÉNYLCÉTONE ET COMPOSITIONS PHARMACEUTIQUES DE PRÉVENTION ET DE TRAITEMENT DE L'OSTÉOPOROSE
  申请人：PROMETIC BIOSCIENCES INC

  公开号：WO2016054725A1

  公开（公告）日：2016-04-14

  The present invention concerns the use of compounds for preventing and/or treating osteoporosis, for stimulating bone formation, for stimulating the differentiation and mineralization of osteoblasts, or for inhibiting bone resorption in a subject. These novel uses have been found for compounds represented by Formula I and pharmaceutically acceptable salts thereof. wherein: R1and R2 are independently equal to H, F or OH; A is (CH2)mCOOH, W(CH2)mCOOH, or Y-CH(COOH)-(CH2)p-CH3 when B is H; or B is (CH2)mCOOH, W(CH2)mCOOH, or Y-CH(COOH)-(CH2)p-CH3 when A is H; or A and B are covalently bonded to form a five (5), six (6), or seven (7)-membered cycloalkyl substituted with COOH; where: Y is O, S, HN or CH2; W is 0, S or NH; m is 0-2; and p is 3-7; D is CO(CH2)nCH3 or CHOH(CH2)nCH3 or 0(CH2)nCH3 where n is 2-6; and E is H or F.

  本发明涉及利用化合物预防和/或治疗骨质疏松症，刺激骨形成，促进成骨细胞的分化和矿化，或抑制受试者骨吸收的用途。已发现这些新用途适用于由式I表示的化合物及其药学上可接受的盐。其中：R1和R2独立地等于H、F或OH；A为(CH2)mCOOH、W(CH2)mCOOH或Y-CH(COOH)-(CH2)p-CH3（当B为H时）；或者B为(CH2)mCOOH、W(CH2)mCOOH或Y-CH(COOH)-(CH2)p-CH3（当A为H时）；或者A和B以共价键结合形成带有COOH的五(5)、六(6)或七(7)元环烷基；其中：Y为O、S、HN或CH2；W为O、S或NH；m为0-2；p为3-7；D为CO(CH2)nCH3或CHOH(CH2)nCH3或O(CH2)nCH3，其中n为2-6；E为H或F。
• Phenylketone carboxylate compounds and pharmaceutical compositions for the prevention and treatment of osteoporosis
  申请人：Liminal BioSciences Limited

  公开号：US10925846B2

  公开（公告）日：2021-02-23

  The present invention concerns the use of compounds for preventing and/or treating osteoporosis, for stimulating bone formation, for stimulating the differentiation and mineralization of osteoblasts, or for inhibiting bone resorption in a subject. These novel uses have been found for compounds represented by Formula I and pharmaceutically acceptable salts thereof. wherein: R1 and R2 are independently equal to H, F or OH; A is (CH2)mCOOH, W(CH2)mCOOH, or Y—CH(COOH)—(CH2)p-CH3 when B is H; or B is (CH2)mCOOH, W(CH2)mCOOH, or Y—CH(COOH)—(CH2)p—CH3 when A is H; or A and B are covalently bonded to form a five (5), six (6), or seven (7)-membered cycloalkyl substituted with COOH; where: Y is O, S, HN or CH2; W is 0, S or NH; m is 0-2; and p is 3-7; D is CO(CH2)nCH3 or CHOH(CH2)nCH3 or O(CH2)nCH3 where n is 2-6; and E is H or F.

  本发明涉及化合物在预防和/或治疗骨质疏松症、刺激骨形成、刺激成骨细胞分化和矿化或抑制受试者骨吸收方面的用途。式 I 所代表的化合物及其药学上可接受的盐类具有这些新用途。 其中R1 和 R2 独立地等于 H、F 或 OH；当 B 为 H 时，A 为 (CH2)mCOOH、W(CH2)mCOOH 或 Y-CH(COOH)-(CH2)p-CH3；或当 A 为 H 时，B 为 (CH2)mCOOH、W(CH2)mCOOH 或 Y-CH(COOH)-(CH2)p-CH3；或 A 和 B 共价键合形成被 COOH 取代的五 (5)、六 (6) 或七 (7) 元环烷基；其中：Y 是 O、S、HN 或 CH2；W 是 0、S 或 NH；m 是 0-2；p 是 3-7；D 是 CO(CH2)nCH3 或 CHOH(CH2)nCH3 或 O(CH2)nCH3，其中 n 是 2-6；E 是 H 或 F。
• Naik et al., Journal of the University of Bombay, Science: Physical Sciences, Mathematics, Biological Sciences and Medicine, 1950, vol. 19/A, p. 54,56
  作者：Naik et al.

  DOI：——

  日期：——