2,3,4-三甲基-2-戊醇 | 66576-26-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2,3,4-三甲基-2-戊醇
• 英文名称: (+/-)-2,3,4-trimethyl-2-pentanol
• 英文别名: 2,3,4-trimethyl-pentan-2-ol；2,3,4-Trimethyl-pentanol-(2)；2,3,4-Trimethylpentan-2-ol
• CAS: 66576-26-9
• 化学式: C₈H₁₈O
• mdl: MFCD03788715
• 分子量: 130.23
• InChiKey: FTPXXARYDFWPGE-UHFFFAOYSA-N

物化性质

• 熔点：
  -61.15°C (estimate)
• 沸点：
  170.96°C (estimate)
• 密度：
  0.8040

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2905199090

反应信息

• 作为反应物：
  描述：

  2,3,4-三甲基-2-戊醇 在 三氯化铝 、 苯 作用下， 生成 2,3,4-三甲基-1-戊烯.
  参考文献：
  名称：

  当在氯化铝存在下与苯缩合时，2,3,4-三甲基-2-戊醇的裂解。

  摘要：

  DOI：

  10.1021/jo01159a007
• 作为产物：
  描述：

  2,3-二甲基丁酸 在 氯化亚砜 作用下， 生成 2,3,4-三甲基-2-戊醇
  参考文献：
  名称：

  Structure-activity relationship observations for the bagworm moth pheromone

  摘要：

  Structure-activity relationship (SAR) observations were made for the bagworm moth pheromone, (R)-2-pentyl decanoate, and a series of analogs with modifications in the alcohol portion of the molecule. Observed attractiveness of these analogs was related to molecular structure and their physical attributes using computational chemistry. Electrostatic potential and Van der Waals (VdW) electrostatic coded surface three-dimensional (3D) maps of the molecular mechanics (MM) minimized lowest energy conformation of the pheromone show that size, shape, charge distribution, and chirality of the molecule are related to attractiveness.

  DOI：

  10.1007/bf02266968

文献信息

• PRECURSOR COMPOUNDS OF SWEET TASTE RECEPTOR ANTAGONISTS FOR THE PREVENTION OR TREATMENT OF DISEASE
  申请人：Ley Jakob Peter

  公开号：US20110045069A1

  公开（公告）日：2011-02-24

  A description is given of precursor compounds of sweet taste receptor antagonists for the prevention or treatment of disease, in particular for the prevention or treatment of Type 2 diabetes. A description is also given of uses of these precursor compounds and edible compositions, preparations for nutrition or pleasure or semi-finished products and pharmaceutical preparations, containing such precursor compounds.

  描述了甜味受体拮抗剂的前体化合物，用于预防或治疗疾病，特别是用于预防或治疗2型糖尿病。还描述了这些前体化合物的用途，以及包含这些前体化合物的食用组合物、营养或愉悦制剂、半成品和含有这些前体化合物的药物制剂。
• ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES
  申请人：Marfat Anthony

  公开号：US20070161681A1

  公开（公告）日：2007-07-12

  Compounds useful as inhibitors of PDE4 in the treatment of diseases regulated by the activation and degranulation of eosinophils, especially asthma, chronic bronchitis, and chronic obstructive pulmonary disease, of the formula: wherein the substituents are as defined in the specification.

  以下化合物可用作PDE4的抑制剂，用于治疗由嗜酸性粒细胞的活化和脱颗粒调控的疾病，特别是哮喘、慢性支气管炎和慢性阻塞性肺疾病，其化学式如下：其中取代基如规范中所定义。
• AZEPINO[4,5-B]INDOLES AND METHODS OF USE
  申请人：Hung David T.

  公开号：US20100152163A1

  公开（公告）日：2010-06-17

  This disclosure relates to new azepino[4,5-b]indole compounds that may be used to modulate a histamine receptor in an individual. Novel compounds are described, including new 1,2,3,4,5,6-tetrahydroazepino[4,5-b]indoles. Pharmaceutical compositions are also provided.

  本公开涉及新的azepino [4,5-b] indole化合物，可用于调节个体中的组胺受体。描述了新的化合物，包括新的1,2,3,4,5,6-六氢azepino [4,5-b] indoles。还提供了药物组合物。
• NOVEL COCRYSTALLIZATION
  申请人：CHILDS Scott L.

  公开号：US20110257430A1

  公开（公告）日：2011-10-20

  The present disclosure relates to novel cocrystals and novel methods for cocrystallization. In particular, the disclosure includes cocrystals comprising a salt of an active agent, such as a chloride salt of an active pharmaceutical ingredient. The present disclosure also relates to methods of preparing cocrystals and methods for screening for solid state phases.

  本公开涉及新型共晶体及新型共晶化方法。具体来说，公开包括包含活性物质的盐的共晶体，例如活性药物成分的氯化物盐。本公开还涉及制备共晶体的方法以及筛选固态相的方法。
• PYRIDO[4,3-B]INDOLES AND METHODS OF USE
  申请人：Jain Rajendra Parasmal

  公开号：US20110245272A1

  公开（公告）日：2011-10-06

  This disclosure relates to new heterocyclic compounds that may be used to modulate a histamine receptor in an individual. Pyrido[4,3-b]indoles are described, as are pharmaceutical compositions comprising the compounds and methods of using the compounds in a variety of therapeutic applications, including the treatment of a cognitive disorder, psychotic disorder, neurotransmitter-mediated disorder and/or a neuronal disorder.

  本公开涉及新的杂环化合物，可用于调节个体的组胺受体。其中描述了吡啶并[4,3-b]吲哚，以及包含这些化合物的制药组合物和使用这些化合物在各种治疗应用中的方法，包括治疗认知障碍、精神障碍、神经递质介导的障碍和/或神经元障碍。