3-溴-5-甲基金刚烷-1-羧酸 | 14670-95-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 3-溴-5-甲基金刚烷-1-羧酸
• 英文名称: 5-methyl-3-bromoadamantane-1-carboxylic acid
• 英文别名: 3-Methyl-5-brom-adamantan-carbonsaeure；5-Brom-1-methyl-adamantan-carbonsaeure-(3)；3-bromo-5-methyladamantan-1-carboxylic acid；3-methyl-5-bromo-adamantane-1-carboxylic acid；3-bromo-5-methyladamantane-1-carboxylic acid
• CAS: 14670-95-2；26768-52-5
• 化学式: C₁₂H₁₇BrO₂
• 分子量: 273.17
• InChiKey: AQYMJKFAOHCXOD-UHFFFAOYSA-N

物化性质

• 熔点：
  118 °C

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2916209090

反应信息

• 作为反应物：
  描述：

  3-溴-5-甲基金刚烷-1-羧酸 生成 3-Methyl-5-bromadamantan-1-carboxamid
  参考文献：
  名称：

  Theoretical and experimental studies of optically active bridgehead-substituted adamantanes and related compounds

  摘要：

  DOI：

  10.1021/ja01049a002
• 作为产物：
  描述：

  1-methyladamantane 在 硫酸 、 溴 作用下， 生成 3-溴-5-甲基金刚烷-1-羧酸
  参考文献：
  名称：

  Theoretical and experimental studies of optically active bridgehead-substituted adamantanes and related compounds

  摘要：

  DOI：

  10.1021/ja01049a002

文献信息

• APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES
  申请人：Ding Hong

  公开号：US20110237553A1

  公开（公告）日：2011-09-29

  Disclosed are compounds which inhibit the activity of anti-apoptotic Bcl-2 proteins, compositions containing the compounds and methods of treating diseases during which is expressed anti-apoptotic Bcl-2 protein.

  揭示了抑制抗凋亡Bcl-2蛋白活性的化合物，包含这些化合物的组合物以及治疗在其中表达抗凋亡Bcl-2蛋白的疾病的方法。
• PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST
  申请人：Komiyama Masato

  公开号：US20110313169A1

  公开（公告）日：2011-12-22

  A process for efficiently producing, through few steps either a xanthine oxidase inhibitor, which is a therapeutic agent for hyperuricemia, or an intermediate therefore. The process is a novel coupling process which comprises subjecting a compound represented by formula (1) to coupling reaction with a compound represented by formula (2) in the presence of a transition metal compound to thereby obtain a compound represented by formula (3).

  一种高效生产黄嘌呤氧化酶抑制剂或其中间体的方法，该抑制剂是治疗高尿酸血症的药物。该方法是一种新型偶联过程，包括将式（1）表示的化合物与式（2）表示的化合物在过渡金属化合物存在下进行偶联反应，从而获得式（3）表示的化合物。
• METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING PALLADIUM COMPOUND
  申请人：Komiyama Masato

  公开号：US20130158272A1

  公开（公告）日：2013-06-20

  The present invention provides a method for producing a xanthine oxidase inhibitor, which is a therapeutic agent for hyperuricemia, or intermediates of the same, said method being efficient and using a short process. The present invention is a novel coupling method for obtaining a compound represented by formula (3) by bringing about a coupling reaction between a compound represented by formula (1) and a compound represented by formula (2), in the presence of a palladium compound, a ligand capable of coordinating to the palladium compound, a base, a C 1 -C 40 carboxylic acid, and at least one kind of additive.

  本发明提供了一种生产黄嘌呤氧化酶抑制剂的方法，该抑制剂是治疗高尿酸血症的药物，或者其中间体，该方法高效且使用流程简短。本发明是一种新型耦合方法，通过在钯化合物、能够配位到钯化合物的配体、碱、C1-C40羧酸和至少一种添加剂的存在下，在式（1）所代表的化合物和式（2）所代表的化合物之间引发耦合反应，从而获得式（3）所代表的化合物。
• [EN] ENANTIOMERICALLY PURE ADAMANTANE DERIVATIVES FOR THE TREATMENT OF FILOVIRUS INFECTION<br/>[FR] DÉRIVÉS ÉNANTIOMÉRIQUEMENT PURS D'ADAMATANE POUR LE TRAITEMENT D'INFECTIONS À FILOVIRUS
  申请人：ARISAN THERAPEUTICS INC

  公开号：WO2019018185A1

  公开（公告）日：2019-01-24

  The compounds of the invention as shown by general structure I, as shown below, are effective in treating filovirus infections. Structure I X is selected from the group consisting of O and H; R1 is selected from (C6 to C10) aryl and (C2 to C9) heteroaryl, and R2 is selected from (C1 to C10) alkyl, (C1 to C10) alkenyl, (C1 to C10) alkynyl, (C3 to C10) cycloalkyi, and (C5 to C10) cycloalkenyl, and NR3aR3b is defined in the specification. These compounds are effective in treating filovirii infections including Ebolavirus and Marburgvirus.

  本发明的化合物如一般结构I所示，如下所示，对于治疗丝状病毒感染具有有效性。 结构I中X的选择来自于O和H的群组; R1的选择来自于（C6到C10）芳基和（C2到C9）杂环芳基，而R2的选择来自于（C1到C10）烷基，（C1到C10）烯基，（C1到C10）炔基，（C3到C10）环烷基和（C5到C10）环烯基，而NR3aR3b在规范中被定义。 这些化合物对于治疗丝状病毒感染包括埃博拉病毒和马尔堡病毒具有有效性。
• METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING A PALLADIUM COMPOUND
  申请人：Teijin Pharma Limited

  公开号：EP2610248A1

  公开（公告）日：2013-07-03

  The present invention provides a method for producing a xanthine oxidase inhibitor, which is a therapeutic agent for hyperuricemia, or intermediates of the same, said method being efficient and using a short process. The present invention is a novel coupling method for obtaining a compound represented by formula (3) by bringing about a coupling reaction between a compound represented by formula (1) and a compound represented by formula (2), in the presence of a palladium compound, a ligand capable of coordinating to the palladium compound, a base, a C1-C40 carboxylic acid, and at least one kind of additive.

  本发明提供了一种生产作为高尿酸血症治疗药物的黄嘌呤氧化酶抑制剂或其中间体的方法，所述方法高效且工艺流程短。本发明是一种新颖的偶联方法，通过在钯化合物、能与钯化合物配位的配体、碱、C1-C40 羧酸和至少一种添加剂存在下，使式（1）代表的化合物与式（2）代表的化合物发生偶联反应，得到式（3）代表的化合物。