(3S,4R)-tert-butyl 3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate | 1610418-19-3

• 物质功能分类: 有机原料 - 有机氟化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (3S,4R)-tert-butyl 3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate
• 英文别名: tert-butyl (3S,4R)-3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate；(3S,4R)-rel-tert-Butyl 3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate
• CAS: 1610418-19-3
• 化学式: C₁₁H₂₀FNO₃
• 分子量: 233.283
• InChiKey: UIACYDBUYRFVMD-RKDXNWHRSA-N

物化性质

• 沸点：
  316.2±27.0 °C(Predicted)
• 密度：
  1.13±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 储存条件：
  存放在室温、干燥密封的环境中。

反应信息

• 作为反应物：
  描述：

  (3S,4R)-tert-butyl 3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate 在 碘苯二乙酸 、 2-羟基-2-氮杂金刚烷 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 4.42h， 生成 tert-butyl (3S,4R)-3-fluoro-4-[(1S)-1-{[(R)-2-methylpropane-2-sulfinyl]amino}ethyl]piperidine-1-carboxylate
  参考文献：
  名称：

  EP3882239

  摘要：

  公开号：
• 作为产物：
  描述：

  3-氟吡啶 在 盐酸 、 sodium tetrahydroborate 、 chloro(1,5-cyclooctadiene)rhodium(I) dimer 、 Walphos SL-W003-1 、 palladium 10% on activated carbon 、 水 、 氢气 、 三乙胺 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 丙酮 为溶剂， -65.0~50.0 ℃ 、2.0 MPa 条件下， 反应 82.0h， 生成 (3S,4R)-tert-butyl 3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate
  参考文献：
  名称：

  [EN] BICYCLIC AZAHETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS
  [FR] COMPOSÉS AZAHÉTÉROCYCLIQUES BICYCLIQUES UTILISÉS COMME ANTAGONISTES DES RÉCEPTEURS NMDA NR2B

  摘要：

  公开号：

  WO2016100349A3

文献信息

• NOVEL COMPOUNDS
  申请人：Glaxo Group Limited

  公开号：US20150065507A1

  公开（公告）日：2015-03-05

  The present invention is directed to novel retinoid-related orphan receptor gamma (RORγ) modulators, processes for their preparation, pharmaceutical compositions containing these modulators, and their use in the treatment of inflammatory, metabolic and autoimmune diseases mediated by RORγ.

  本发明涉及新型视黄醛酸相关孤儿受体γ（RORγ）调节剂，其制备方法，含有这些调节剂的药物组合物，以及它们在治疗由RORγ介导的炎症性、代谢性和自身免疫疾病中的应用。
• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：GLAXO GROUP LTD

  公开号：WO2013160419A1

  公开（公告）日：2013-10-31

  The present invention is directed to novel retinoid-related orphan receptor gamma (RORγ) modulators, processes for their preparation, pharmaceutical compositions containing these modulators, and their use in the treatment of inflammatory, metabolic and autoimmune diseases mediated by RORγ.

  本发明涉及新型视黄醛相关孤儿受体γ（RORγ）调节剂，其制备方法，含有这些调节剂的药物组合物，以及它们在治疗由RORγ介导的炎症性、代谢性和自身免疫性疾病中的应用。
• Bridged Spiro[2.4]heptane Ester Derivatives
  申请人：Bur Daniel

  公开号：US20130231319A1

  公开（公告）日：2013-09-05

  The invention relates to a method for preparing linear polymers having an amide end or having a star architecture comprising an amide core, by means of a ring opening using lactide and glycolide monomers or a lactide monomer ring in the presence of a catalyst, wherein the method includes the steps of: (i) reacting the excess monomer(s) with an initiator in a solvent, said initiator being selected from among an amine and an amino alcohol, given that the initiator has at least one primary or secondary amine function; (ii) adding a catalyst, said catalyst being a non-nucleophilic base and including at least one neutral sp2 nitrogen atom; and (iii) neutralizing the reaction mixture. Said novel method is particularly advantageous in that it can be easily monitored and enables better modulation of the polymers, and thus of the properties thereof, than the methods of the prior art. The invention also relates to novel polymers that are obtainable by means of said method.

  本发明涉及一种通过使用乳酸内酯和乙二醇内酯单体或乳酸内酯单体在催化剂存在下进行开环反应的方法，以制备具有酰胺末端或具有酰胺核心的星形结构线性聚合物，其中该方法包括以下步骤：（i）在溶剂中将过量单体与引发剂反应，所述引发剂从胺和氨基醇中选择，给定该引发剂具有至少一个初级或次级胺功能；（ii）添加催化剂，所述催化剂是一种非亲核碱，包括至少一个中性sp2氮原子；以及（iii）中和反应混合物。该新型方法特别优越的是可以很容易地监测，并且能够比现有技术的方法更好地调节聚合物及其性质。本发明还涉及通过该方法可获得的新型聚合物。
• Bridged Spiro[2.4]heptane ester derivatives
  申请人：Bur Daniel

  公开号：US09187435B2

  公开（公告）日：2015-11-17

  The invention relates to a method for preparing linear polymers having an amide end or having a star architecture comprising an amide core, by means of a ring opening using lactide and glycolide monomers or a lactide monomer ring in the presence of a catalyst, wherein the method includes the steps of: (i) reacting the excess monomer(s) with an initiator in a solvent, said initiator being selected from among an amine and an amino alcohol, given that the initiator has at least one primary or secondary amine function; (ii) adding a catalyst, said catalyst being a non-nucleophilic base and including at least one neutral sp2 nitrogen atom; and (iii) neutralizing the reaction mixture. Said novel method is particularly advantageous in that it can be easily monitored and enables better modulation of the polymers, and thus of the properties thereof, than the methods of the prior art. The invention also relates to novel polymers that are obtainable by means of said method.

  本发明涉及一种制备具有酰胺末端或具有星形结构，包括酰胺核心的线性聚合物的方法，通过在存在催化剂的情况下使用乳酸内酯和乙二醇内酯单体或乳酸内酯单体环开合来实现，其中该方法包括以下步骤：（i）将多余的单体与引发剂在溶剂中反应，所述引发剂被选自胺和氨基醇，给定引发剂至少具有一个主要或次要胺基团；（ii）添加催化剂，所述催化剂是非亲核碱，并包括至少一个中性sp2氮原子；（iii）中和反应混合物。该新的方法特别优越的是，它可以很容易地监测，并且比现有技术的方法更好地调节聚合物，从而调节其性质。本发明还涉及通过该方法获得的新型聚合物。
• N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS
  申请人：ARRAY BIOPHARMA INC.

  公开号：US20160272592A1

  公开（公告）日：2016-09-22

  Compounds of Formula I or stereoisomers, tautomers, or pharmaceutically acceptable salts, solvates or prodrugs thereof, wherein Ring A, Ring C, X, Ra, Rb, Rc, Rd and n are as defined herein, are inhibitors of TrkA kinase and are useful in the treatment of diseases which can be treated with a TrkA kinase inhibitor such as pain, cancer, inflammation/inflammatory diseases, neurodegenerative diseases, certain infectious diseases, Sjogren's syndrome, endometriosis, diabetic peripheral neuropathy, prostatitis or pelvic pain syndrome.

  式I的化合物或其立体异构体、互变异构体、药学上可接受的盐、溶剂化合物或前药，其中环A、环C、X、Ra、Rb、Rc、Rd和n的定义如本文所述，是TrkA激酶的抑制剂，可用于治疗可通过TrkA激酶抑制剂治疗的疾病，如疼痛、癌症、炎症/炎症性疾病、神经退行性疾病、某些传染病、Sjogren综合征、子宫内膜异位症、糖尿病周围神经病变、前列腺炎或盆腔疼痛综合征。