(2R)-1,4-二恶烷-2-甲醇 | 406913-88-0

• 物质功能分类: 化学试剂 - 有机试剂
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二恶烷
• 中文名称: (2R)-1,4-二恶烷-2-甲醇
• 英文名称: (R)-(1,4-dioxan-2-yl)methanol
• 英文别名: [(2R)-1,4-dioxan-2-yl]methanol；(R)-(-)-2-hydroxymethyl-1,4-dioxane
• CAS: 406913-88-0
• 化学式: C₅H₁₀O₃
• 分子量: 118.133
• InChiKey: CMEPUAROFJSGJN-RXMQYKEDSA-N

物化性质

• 沸点：
  208.2±15.0 °C(Predicted)
• 密度：
  1.102
• pKa：
  14.24±0.10 (Predicted,Most Acidic Temp: 25 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  8
• 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：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335

制备方法与用途

(2R)-1,4-二恶烷-2-甲醇常用于实验室研发及化工医药合成过程。

反应信息

• 作为反应物：
  描述：

  (2R)-1,4-二恶烷-2-甲醇 以 乙醇 、 二氯甲烷 、 水 为溶剂， 生成 (2R)-1,4-dioxan-2-yl-N-methylmethanaminium chloride
  参考文献：
  名称：

  Process Development and Large-Scale Synthesis of a c-Met Kinase Inhibitor

  摘要：

  A highly convergent synthesis of c-Met kinase inhibitor 1 has been demonstrated on a multikilogram scale using three key fragments: dihalotricyclic core 2, chiral sulfamide side chain 3, and pyrazole boronic ester 4. The chirality in sulfamide side chain 3 was installed using the cheap and readily available starting material (S)epichlorohydrin. A total of 2.71 kg of 1 were isolated in seven steps (the longest linear sequence).

  DOI：

  10.1021/op100101q
• 作为产物：
  描述：

  2-羟基甲基-1,4-二氧杂烷 在 吡啶 、 sodium hydroxide 、 R(+)-alpha-甲基苄胺 作用下， 以 异丙醇 为溶剂， 反应 2.0h， 生成 (2R)-1,4-二恶烷-2-甲醇
  参考文献：
  名称：

  Pallavicini, Marco; Valoti, Ermanno; Villa, Luigi, Enantiomer, 2001, vol. 6, # 5, p. 267 - 273

  摘要：

  DOI：

文献信息

• [EN] NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF HEPATITIS B<br/>[FR] NOUVEAUX COMPOSÉS ET COMPOSITIONS PHARMACEUTIQUES DE CEUX-CI POUR LE TRAITEMENT DE L'HÉPATITE B
  申请人：GALAPAGOS NV

  公开号：WO2020239656A1

  公开（公告）日：2020-12-03

  The present invention discloses compounds according to Formula (I), wherein X, G, R1, R2a, R2b, R3, R4, and R5 are as defined herein. The present invention relates to compounds, methods for their production, pharmaceutical compositions comprising the same, and methods of treatment using the same, for the prophylaxis and/or treatment of diseases involving hepatitis B by administering the compound of the invention.

  本发明公开了根据式（I）的化合物，其中X、G、R1、R2a、R2b、R3、R4和R5如本文所定义。本发明涉及化合物、其生产方法、包括其在内的药物组合物，以及使用该化合物进行预防和/或治疗涉及乙型肝炎的疾病的方法。
• NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS.
  申请人：GALAPAGOS NV

  公开号：US20130165437A1

  公开（公告）日：2013-06-27

  A compound according to Formula Ia: wherein L 1 , G, and R 1 are as described herein. The present invention relates to novel compounds according to Formula I that antagonize GPR84, a G-protein-coupled receptor that is involved in inflammatory conditions, and methods for the production of these novel compounds, pharmaceutical compositions comprising these compounds, and methods for the prevention and/or treatment of inflammatory conditions (for example inflammatory bowel diseases (IBD), rheumatoid arthritis, vasculitis, lung diseases (e.g. chronic obstructive pulmonary disease (COPD) and lung interstitial diseases (e.g. idiopathic pulmonary fibrosis (IPF))), neuroinflammatory conditions, infectious diseases, autoimmune diseases, endocrine and/or metabolic diseases, and/or diseases involving impairment of immune cell functions by administering a compound of the invention.

  根据以下公式Ia的化合物： 其中L1、G和R1如本文所述。 本发明涉及根据公式I的新化合物，这些化合物对抗GPR84，G蛋白偶联受体，该受体参与炎症病症，以及这些新化合物的生产方法，包含这些化合物的药物组合物，以及通过给予本发明的化合物来预防和/或治疗炎症病症（例如炎症性肠病（IBD）、类风湿关节炎、血管炎、肺部疾病（例如慢性阻塞性肺病（COPD）和肺间质疾病（例如特发性肺纤维化（IPF）））、神经炎症病症、传染病、自身免疫疾病、内分泌和/或代谢疾病，以及/或通过给予本发明的化合物导致免疫细胞功能受损的疾病。
• [EN] MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE<br/>[FR] INHIBITEURS MACROCYCLIQUES DE MCL-1 ET MÉTHODES D'UTILISATION
  申请人：ABBVIE INC

  公开号：WO2019035911A1

  公开（公告）日：2019-02-21

  The present disclosure provides for compounds of formula (I), wherein A2, A3, A4, A6, A7, A8, A15, RA, R5, R9, R10A, R10B, R11, R12, R13, R14, R16, W, X, and Y have any of the values defined in the specification, and pharmaceutically acceptable salts thereof, that are useful as agents in the treatment of diseases and conditions, including cancer. Also provided are pharmaceutical compositions comprising compounds of formula (I).

  本公开提供了式(I)的化合物，其中A2、A3、A4、A6、A7、A8、A15、RA、R5、R9、R10A、R10B、R11、R12、R13、R14、R16、W、X和Y具有规范中定义的任何值，以及其药学上可接受的盐，这些化合物在治疗疾病和病况，包括癌症方面是有用的。还提供了包含式(I)化合物的药物组合物。
• [EN] 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES<br/>[FR] BENZAMIDES À SUBSTITUTION 1,3-THIAZOL-2-YL
  申请人：EVOTEC AG

  公开号：WO2016091776A1

  公开（公告）日：2016-06-16

  The present invention relates to 1,3-thiazol-2-yl substituted benzamide compounds of general formula (I) as described and defined herein, to pharmaceutical compositions and combinations comprising said compounds and to the use of said compounds for manufacturing a pharmaceutical composition for the treatment or prophylaxis of a disease, in particular of neurogenic disorder, as a sole agent or in combination with other active ingredients.

  本发明涉及一般式（I）所述和定义的1,3-噻唑-2-基取代苯甲酰胺化合物，以及包含所述化合物的药物组合物和药物组合物的用途，用于制造用于治疗或预防疾病的药物组合物，特别是神经源性疾病，作为唯一药剂或与其他活性成分组合使用。
• [EN] NOVEL DIHYDROPYRIDOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS<br/>[FR] NOUVELLES DIHYDROPYRIDOISOQUINOLINONES ET LEURS COMPOSITIONS PHARMACEUTIQUES POUR LE TRAITEMENT DE TROUBLES INFLAMMATOIRES
  申请人：GALAPAGOS NV

  公开号：WO2016169911A1

  公开（公告）日：2016-10-27

  A compound according to Formula (I): wherein R1, LA, CyA, RA, R2, R3, and R4 are as described herein. The present invention relates to novel compounds according to Formula I that antagonize GPR84, a G-protein-coupled receptor that is involved in inflammatory conditions, and methods for the production of these novel compounds, pharmaceutical compositions comprising these compounds, and methods for the prevention and/or treatment of inflammatory conditions, pain, neuroinflammatory conditions, neurodegenerative conditions, infectious diseases, autoimmune diseases, endocrine and/or metabolic diseases, cardiovascular diseases, leukemia, and/or diseases involving impairment of immune cell functions by administering a compound of the invention.

  根据公式（I）的化合物：其中R1、LA、CyA、RA、R2、R3和R4如本文所述。本发明涉及根据公式I的新化合物，这些化合物拮抗GPR84，GPR84是涉及炎症状况的G蛋白偶联受体，以及制备这些新化合物的方法，包括这些化合物的药物组合物，以及通过给予本发明的化合物预防和/或治疗炎症状况、疼痛、神经炎症状况、神经退行性疾病、传染病、自身免疫疾病、内分泌和/或代谢疾病、心血管疾病、白血病和/或通过给予本发明的化合物导致免疫细胞功能受损的疾病的方法。