3-溴-2-甲基四氢-2H-吡喃 | 156051-16-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 中文名称: 3-溴-2-甲基四氢-2H-吡喃
• 英文名称: (+/-)-3-bromo-2-methyloxane
• 英文别名: 3-bromo-2-methyl-tetrahydro-pyran；3-Brom-2-methyl-tetrahydro-pyran；3-Bromo-2-methyloxane
• CAS: 156051-16-0
• 化学式: C₆H₁₁BrO
• 分子量: 179.057
• InChiKey: OHDMVYQDGADQIF-UHFFFAOYSA-N

物化性质

• 沸点：
  60-61 °C/17 mmHg(lit.)
• 密度：
  1.366 g/mL at 25 °C(lit.)
• 闪点：
  57 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  8
• 可旋转键数：
  0
• 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

安全信息

• 海关编码：
  2932999099
• 危险品运输编号：
  UN 1993 3/PG 3

反应信息

• 作为反应物：
  描述：

  3-溴-2-甲基四氢-2H-吡喃 、 2-叔丁氧羰基氨基丙烯酸甲酯 在 copper(II) bis(trifluoromethanesulfonate) 、 氯化铵 、 锌 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以92%的产率得到methyl 2-((tert-butoxycarbonyl)amino)-3-(2-methyltetrahydro-2H-pyran-3-yl)propanoate
  参考文献：
  名称：

  Cu（OTf）2促进烷基溴化物向脱氢丙氨酸的添加1,4-

  摘要：

  开发了Zn / Cu（OTf）2介导的烷基溴在水性介质下以高至高收率向包括二肽和三肽的脱氢丙氨酸（Dha）衍生物中添加烷基溴的方法。该协议允许从Dha衍生物选择性和生物相容地访问各种氨基酸单元。

  DOI：

  10.1021/acs.joc.9b00369
• 作为产物：
  描述：

  4-己烯-1-醇 在 adamantylideneadamantane bromonium triflate 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 2-(1-bromo-ethyl)-tetrahydro-furan 、 3-溴-2-甲基四氢-2H-吡喃
  参考文献：
  名称：

  Neverov, A.A.; Brown, R.S., Canadian Journal of Chemistry, 1994, vol. 72, # 12, p. 2540 - 2544

  摘要：

  DOI：

文献信息

• [EN] SUBSTITUTED PYRROLOPYRIDINE-DERIVATIVES<br/>[FR] DÉRIVÉS DE PYRROLOPYRIDINE SUBSTITUÉS
  申请人：BAYER PHARMA AG

  公开号：WO2019016071A1

  公开（公告）日：2019-01-24

  The present invention relates to protein-inhibitory substituted pyrrolopyridine derivatives of formula (I), in which A, X, R1, R2a, R2b, R3a, R3b, R4a and R4b are as defined herein, to pharmaceutical compositions and combinations comprising the compounds according to the invention, and to the prophylactic and therapeutic use of the inventive compounds, respectively to the use of said compounds for manufacturing pharmaceutical compositions for the treatment or prophylaxis of diseases, in particular for neoplastic disorders, repectively cancer or conditions with dysregulated immune responses or other disorders associated with aberrant MAP4K1 signaling, as a sole agent or in combination with other active ingredients. The present invention further relates to the use, respectively to the use of said compounds for manufacturing pharmaceutical compositions for the treatment or prophylaxis of protein inhibitors in benign hyperplasias, atherosclerotic disorders, sepsis, autoimmune disorders, vascular disorders, viral infections, in neurodegenerative disorders, in inflammatory disorders, in atherosclerotic disorders and in male fertility control.

  本发明涉及式(I)的蛋白抑制取代吡咯吡啶衍生物，其中A、X、R1、R2a、R2b、R3a、R3b、R4a和R4b如本文所定义，以及包含根据本发明的化合物的药物组合物和药物组合物，以及创新化合物的预防和治疗用途，分别用于制造用于治疗或预防疾病的药物组合物，特别是用于肿瘤性疾病、癌症或与MAP4K1信号异常相关的其他疾病的治疗或预防，作为单一药剂或与其他活性成分组合使用。本发明还涉及用途，分别用于制造用于治疗或预防良性增生、动脉粥样硬化疾病、败血症、自身免疫性疾病、血管疾病、病毒感染、神经退行性疾病、炎症性疾病、动脉粥样硬化疾病和男性生育控制的蛋白抑制剂的药物组合物。
• Method for producing organic compounds by substituting halogen atoms
  申请人：MITSUI CHEMICALS, INC.

  公开号：EP1486479A1

  公开（公告）日：2004-12-15

  The invention pertains to a method in which a halogen atom of an organic compound is replaced with a group derived from a nucleophilic agent, at high yield and high efficiency, by the following method which includes a step of reacting the nucleophilic agent with an organic material having a halogen atom bonded to a carbon atom having four σ bonds, more specifically: a method for producing an organic compound having Q, the method including a step of reacting a compound represented by general formula (2) with an organic starting material having at least one halogen atom bonded to a carbon atom having four σ bonds so as to replace the halogen atom in the organic starting material with Q:         MQa     (2) (wherein M represents an alkali metal atom, an alkali earth metal atom, or a rare earth metal atom; Q represents a moiety of an inorganic acid or an active hydrogen compound derived by eliminating a proton, wherein Q is a halogen atom different from the halogen atom in the organic starting material having the halogen atom bonded to the carbon atom having the four σ bonds; and a represents an integer of 1 to 3) in the presence of a compound represented by general formula (1) (wherein Z- represents an anion derived by eliminating a proton from an inorganic acid or an active hydrogen compound; R2 is the same or different; R2 each independently represent a C1-C10 hydrocarbon group or two R2 on the same nitrogen atom may be bonded with each other to form a ring with the nitrogen atom).

  这项发明涉及一种方法，其中有机化合物中的卤素原子被来自亲核试剂的基团取代，且产率高效率高，通过以下方法实现，包括以下步骤：将亲核试剂与具有与碳原子形成四个σ键的卤素原子相结合的有机材料反应的步骤，更具体地说：一种用于生产具有Q的有机化合物的方法，包括以下步骤：将由通式（2）表示的化合物与至少一个卤素原子与碳原子形成四个σ键的有机起始材料反应，以将有机起始材料中的卤素原子替换为Q：         MQa     (2) （其中M代表碱金属原子、碱土金属原子或稀土金属原子；Q代表由消除质子衍生的无机酸或活性氢化合物的基团，其中Q是不同于有机起始材料中卤素原子的卤素原子，该卤素原子与具有四个σ键的碳原子相结合；a表示1到3的整数），在通式（1）表示的化合物的存在下 （其中Z-代表由无机酸或活性氢化合物中消除质子衍生的阴离子；R2相同或不同；R2各自独立地表示C1-C10烃基，或者两个R2在同一氮原子上可能与彼此结合形成与氮原子的环）。
• PYRAZOLOPYRIDONE COMPOUNDS AND USES THEREOF
  申请人：Incyte Corporation

  公开号：US20180072719A1

  公开（公告）日：2018-03-15

  Disclosed are compounds of Formula (I), methods of using the compounds for inhibiting HPK1 activity and pharmaceutical compositions comprising such compounds. The compounds are useful in treating, preventing or ameliorating diseases or disorders associated with HPK1 activity such as cancer.

  本文披露了化合物的结构式（I），以及利用这些化合物抑制HPK1活性的方法和包含这些化合物的药物组合物。这些化合物对于治疗、预防或改善与HPK1活性相关的疾病或障碍，如癌症，具有实用价值。
• Pyrazolopyridone compounds and uses thereof
  申请人：Incyte Corporation

  公开号：US10280164B2

  公开（公告）日：2019-05-07

  Disclosed are compounds of Formula (I), methods of using the compounds for inhibiting HPK1 activity and pharmaceutical compositions comprising such compounds. The compounds are useful in treating, preventing or ameliorating diseases or disorders associated with HPK1 activity such as cancer.

  本发明公开了式（I）化合物、使用该化合物抑制 HPK1 活性的方法以及包含该化合物的药物组合物。这些化合物可用于治疗、预防或改善与 HPK1 活性相关的疾病或紊乱，如癌症。
• Method for producing organic compound by substituting halogen atoms
  申请人：Mitsui Chemicals, Inc.

  公开号：US20040256743A1

  公开（公告）日：2004-12-23

  A method for producing an organic compound having Q, the method including a step of reacting a compound represented by general formula (2) with an organic starting material having at least one halogen atom bonded to a carbon atom having four &sgr; bonds so as to replace the halogen atom in the organic starting material with Q: MQ a (2) wherein M, Q and a are defined in the presence of a compound represented by general formula (1) 1 wherein Z − and Rs are also defined.

  一种生产具有 Q 的有机化合物的方法，该方法包括以下步骤：将通式（2）代表的化合物与有机起始材料反应，该有机起始材料具有至少一个与具有四个&sgr;键的碳原子成键的卤原子，从而用 Q 取代有机起始材料中的卤原子： MQ a (2) 其中 M、Q 和 a 是在通式（1）所代表的化合物存在时定义的 1 其中 Z - 和 Rs 也已定义。