2-tert-Butyltetrahydropyran | 90676-59-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: 2-tert-Butyltetrahydropyran
• 英文别名: 2-tert-butyl-tetrahydro-pyran；2-tert.-Butyl-tetrahydropyran；2-tert.-Butyltetrahydropyran；2-tert.Butyl-tetrahydropyran；2-Tert-butyloxane
• CAS: 90676-59-8
• 化学式: C₉H₁₈O
• 分子量: 142.241
• InChiKey: SFYGKDASLDASAS-UHFFFAOYSA-N

物化性质

• 沸点：
  157 °C(Press: 750 Torr)
• 密度：
  0.857 g/cm3(Temp: 25 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  新戊酰基乙酸甲酯 在 氢氧化钾 、 lithium aluminium tetrahydride 、 氯化亚砜 、 硫酸 、 sodium ethanolate 作用下， 反应 254.0h， 生成 2-tert-Butyltetrahydropyran
  参考文献：
  名称：

  Ring Closure Reactions of Substituted 4-Pentenyl-1-oxy Radicals. The Stereoselective Synthesis of Functionalized Disubstituted Tetrahydrofurans

  摘要：

  N-(Alkyloxy)pyridine-2( VT)-thiones 3 and benzenesulfenic acid O-esters 5 have been synthesized from substituted 4-pentenols 1 or the derived tosylates. Compounds 3 and 5 are efficient sources of free alkoxy radicals 6 which undergo synthetically useful fast ring closure reactions 6 --> 8 [k(exo) = (2 +/- 1) x 10(8) s(-1) to (6 +/- 2) x 10(9) s(-1) (T = 30 +/- 0.2 degrees C)]. Tetrahydrofurfuryl radicals 8 can be trapped with, e.g., hydrogen or chlorine atom donors to afford either trans- or cis-disubstituted tetrahydrofurans 10 or 12 depending on the substitution pattern of the 4-pentenyloxy radical. Substituted tetrahydropyrans 11 or 13 are formed in the minor 6-endo-trig cyclization. According to the data of competition kinetics, the observed stereoselectivities in free alkoxy radical cyclizations arise from steric interactions between the substituents in the transition state of the ring closure reactions. Alkyl substituents cause small differences in the measured relative rate constants of B-exo cyclizations which are reminiscent of the data obtained from the rearrangements of alkyl-substituted 5-hexenyl radicals. Likewise, a stereochemical model for oxygen radical cyclization is proposed where the pentenyloxy chain adopts a six-membered, chairlike transition state with the alkyl substituents preferentially situated in the pseudoequatorial positions leading to 2,5-trans-, 2,4-cis-, and 2,3-trans-substituted tetrahydrofurfuryl radicals 8 as the major intermediates.

  DOI：

  10.1021/jo00126a021

文献信息

• SUBSTITUTED HETEROCYCLES AS ANTIVIRAL AGENTS
  申请人：Enanta Pharmaceuticals, Inc.

  公开号：US20190224188A1

  公开（公告）日：2019-07-25

  The present invention discloses compounds of Formula (I), and pharmaceutically acceptable salts thereof: which inhibit the protein(s) encoded by hepatitis B virus (HBV) or interfere with the function of the HBV life cycle of the hepatitis B virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HBV infection. The invention also relates to methods of treating an HBV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明公开了式(I)的化合物及其药学上可接受的盐： 这些化合物抑制由乙型肝炎病毒（HBV）编码的蛋白质或干扰乙型肝炎病毒的生命周期功能，并且还可用作抗病毒剂。本发明还涉及包括上述化合物的药物组合物，用于治疗患有HBV感染的受试者。该发明还涉及通过给予包含本发明化合物的药物组合物来治疗受试者的HBV感染的方法。
• [EN] PROCESSES FOR THE PREPARATION OF PYRIMIDINYLCYCLOPENTANE COMPOUNDS<br/>[FR] PROCÉDÉ DE PRÉPARATION DE COMPOSÉS DE PYRIMIDINYLCYCLOPENTANE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2015073739A1

  公开（公告）日：2015-05-21

  The present invention relates to a process for the preparation of a compound of formula (I), wherein R1 is as defined herein, which is useful as an intermediate in the preparation of active pharmaceutical compounds.

  本发明涉及一种制备式(I)化合物的方法，其中R1如本文所定义，该方法在制备活性药物化合物中作为中间体是有用的。
• Bicyclic-Fused Heteroaryl or Aryl Compounds
  申请人：Pfizer Inc.

  公开号：US20150284405A1

  公开（公告）日：2015-10-08

  Compounds, tautomers and pharmaceutically acceptable salts of the compounds are disclosed, wherein the compounds have the structure of Formula Ia, as defined in the specification. Corresponding pharmaceutical compositions, methods of treatment, methods of synthesis, and intermediates are also disclosed.

  所述化合物的异构体和药学上可接受的盐已被披露，其中所述化合物具有如规范中定义的Ia式结构。相应的药物组合物、治疗方法、合成方法和中间体也已被披露。
• [EN] N-PYRIDINYL ACETAMIDE DERIVATIVES AS WNT SIGNALLING PATHWAY INHIBITORS<br/>[FR] DÉRIVÉS N-PYRIDINYL ACÉTAMIDE COMME INHIBITEURS DE LA OIE DE SIGNALISATION WNT
  申请人：REDX PHARMA PLC

  公开号：WO2016055790A1

  公开（公告）日：2016-04-14

  This invention relates to compounds. More specifically, the invention relates to compounds useful as inhibitors of the Wnt signalling pathway. Specifically, inhibitors of Porcupine (Porcn) are contemplated by the invention. In addition the invention contemplates processes to prepare the compounds and uses of the compounds. The compounds of the invention may therefore be used in treating conditions mediated by the Wnt signalling pathway, for example treating cancer, sarcoma, melanoma, skin cancer, haematological tumors, lymphoma, carcinoma, and leukemia; or enhancing the effectiveness of an anti-cancer treatment.

  这项发明涉及化合物。更具体地，该发明涉及作为Wnt信号通路抑制剂的化合物。具体来说，该发明考虑了Porcupine（Porcn）的抑制剂。此外，该发明考虑了制备这些化合物的过程以及这些化合物的用途。因此，该发明的化合物可用于治疗由Wnt信号通路介导的疾病，例如治疗癌症、肉瘤、黑色素瘤、皮肤癌、血液肿瘤、淋巴瘤、癌症和白血病；或增强抗癌治疗的有效性。
• [EN] N-PYRIDINYL ACETAMIDE DERIVATIVES AS INHIBITORS OF THE WNT SIGNALLING PATHWAY<br/>[FR] DÉRIVÉS DE N-PYRIDYL ACÉTAMIDE UTILISÉS COMME INHIBITEURS DE LA VOIE DE SIGNALISATION WNT
  申请人：REDX PHARMA PLC

  公开号：WO2016055786A1

  公开（公告）日：2016-04-14

  This invention relates to compounds. More specifically, the invention relates to compounds useful as inhibitors of the Wnt signalling pathway. Specifically, inhibitors of Porcupine (Porcn) are contemplated by the invention. In addition the invention contemplates processes to prepare the compounds and uses of the compounds. The compounds of the invention may therefore be used in treating conditions mediated by the Wnt signalling pathway, for example treating cancer, sarcoma, melanoma, skin cancer, haematological tumors, lymphoma, carcinoma, and leukemia; or enhancing the effectiveness of an anti-cancer treatment.

  这项发明涉及化合物。更具体地，该发明涉及作为Wnt信号通路抑制剂的化合物。具体来说，该发明考虑了Porcupine（Porcn）的抑制剂。此外，该发明考虑了制备这些化合物的过程以及这些化合物的用途。因此，该发明的化合物可用于治疗由Wnt信号通路介导的疾病，例如治疗癌症、肉瘤、黑色素瘤、皮肤癌、血液肿瘤、淋巴瘤、癌症和白血病；或增强抗癌治疗的有效性。