3-ethyl-valeric acid methyl ester | 63540-23-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3-ethyl-valeric acid methyl ester
• 英文别名: 3-Aethyl-valeriansaeure-methylester；3-Ethyl-pentansaeure-methylester；3-Ethylpentansaeure-methylester；Methyl 3-ethylpentanoate
• CAS: 63540-23-8
• 化学式: C₈H₁₆O₂
• 分子量: 144.214
• InChiKey: BDPBIUDBBLLCPA-UHFFFAOYSA-N

物化性质

• 沸点：
  164 °C
• 密度：
  0.876±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-乙基丁酸 生成 3-ethyl-valeric acid methyl ester
  参考文献：
  名称：

  The Reaction of Carbalkoxycarbene with Saturated Hydrocarbons¹

  摘要：

  DOI：

  10.1021/ja01600a037

文献信息

• [EN] 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS<br/>[FR] DÉRIVÉS DE 1-HÉTÉROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE ET LEURS UTILISATIONS À TITRE DE MODULATEURS DE PDE9A
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2009121919A1

  公开（公告）日：2009-10-08

  The invention relates to novel 1,6-disubstituted pyrazolopyrimidinones, Formula (I) with Hc is a mono-, bi- or tricyclic heterocyclyl group, the ring members of which are carbon atoms and at least 1, preferably 1, 2 or 3, heteroatom(s), which are selected from the group of nitrogen, oxygen and sulphur, which is in the form of -S(O)r - with r being 0, 1 or 2, and - said heterocyclyl group is or comprises 1 non-aromatic, saturated, or partly unsaturated monocyclic ring which comprises at least 1 heteroatom as ring member and - said heterocyclyl group is bound to the scaffold by said 1 non- aromatic, saturated, or partly unsaturated monocyclic ring which comprises at least 1 heteroatom as ring member. According to one aspect of the invention the new compounds are for the manufacture of medicaments, in particular medicaments for the treatment of conditions concerning deficits in perception, concentration, learning or memory. The new compounds are also for the manufacture of medicaments for the treatment of Alzheimer's disease.

  该发明涉及新型1,6-二取代吡唑吡嘧啶酮，化学式（I），其中Hc是一个单环、双环或三环杂环基团，其环成员为碳原子和至少1个，优选1个、2个或3个来自氮、氧和硫的杂原子，其以-S(O)r-的形式存在，其中r为0、1或2，所述杂环基团是或包括1个非芳香、饱和或部分不饱和的单环环，其中至少包含1个杂原子作为环成员，所述杂环基团通过所述至少包含1个杂原子作为环成员的非芳香、饱和或部分不饱和的单环环与支架相结合。根据该发明的一个方面，新化合物用于制造药物，特别是用于治疗感知、注意力、学习或记忆缺陷相关疾病的药物。新化合物还用于制造治疗阿尔茨海默病的药物。
• Hydroformylation of (+)(S)-3-methylpent-1-ene
  作者：P. Pino、S. Pucci、F. Piacenti、G. Dell'Amico

  DOI：10.1039/j39710001640

  日期：——

  In the hydroformylation of (+)(S)-3-methylpent-1-ene the extent of racemization of the synthesized dissymmetric aldehydes is shown to decrease with increasing pressure of carbon monoxide; the ratio of erythro- to threo-2,3-dimethylpentanal formed differs considerably from the diastereoisomeric equilibrium value.

  在（+）（S）-3-甲基戊-1-烯的加氢甲酰化反应中，合成的不对称醛的外消旋化程度随一氧化碳压力的增加而降低。所形成的赤型-苏型-2,3-二甲基戊醛的比例与非对映异构平衡值有很大差异。
• The reactivity of carbenes from photolysis of diazo-compounds towards carbon–hydrogen bonds. Effects of structure, temperature, and matrix on the insertion selectivity
  作者：Hideo Tomioka、Masami Itoh、Shyoji Yamakawa、Yasuji Izawa

  DOI：10.1039/p29800000603

  日期：——

  Direct and/or sensitized photolyses of diazo-acetate (1a) and -malonate (1b) in hydrocarbons and ether were investigated at various temperatures in order to learn more about the nature of the C–H insertion process and the structural factors governing positional selectivity within the matrix. Photolysis of the diazo-compounds in a rigid matrix resulted in a marked decrease in the insertion selectivity

  在各种温度下研究了重氮-乙酸盐（1a）和-丙二酸盐（1b）在烃和醚中的直接和/或敏化光解，以了解更多关于CH插入过程的性质以及控制位置选择性的结构因素的信息。在矩阵内。刚性基质中重氮化合物的光解导致插入选择性的显着降低，这可以解释为表明该基质强加了空间需求，尤其是在单线碳烯的直接C–H插入过程中。如在可比较的液相实验中所观察到的，在基质光解中添加敏化剂导致在（1a）情况下选择性的显着提高，但是在（1b）情况下导致选择性降低。这被解释为表明在这些条件下，激发三重态（1b）本身参与了C–H的插入。更广泛的温度研究表明，随着温度降低，：CHCO的C–H插入选择性不论反应相如何， 2 R都有规律地减少，而：C（CO 2 R） 2的液相增加，而固相减少。这种温度依赖性的差异可以通过假设单线态卡宾负责在整个研究温度范围内：CHCH 2 R的C–H插入，而单线态和三线态都参与：C（CO 2 R ） 2。
• 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D] PYRIMIDIN-4-ONE DERIVATES AND THEIR USE AS PDE9A MODULATORS
  申请人：Giovannini Riccardo

  公开号：US20110184000A1

  公开（公告）日：2011-07-28

  The invention relates to novel 1,6-disubstituted pyrazolopyrimidinones, Formula (I) with is a mono-, bi- or tri-cyclic heterocyclyl group, the ring members of which are carbon atoms and at least 1, preferably 1, 2 or 3, heteroatom(s), which are selected from the group of nitrogen, oxygen and sulphur, which is in the form of —S(O) r — with r being 0, 1 or 2, and—said heterocyclyl group is or comprises 1 non-aromatic, saturated, or partly unsaturated monocyclic ring which comprises at least 1 heteroatom as ring member and—said heterocyclyl group is bound to the scaffold by said 1 non-aromatic, saturated, or partly unsaturated monocyclic ring which comprises at least 1 heteroatom as ring member. According to one aspect of the invention the new compounds are for the manufacture of medicaments, in particular medicaments for the treatment of conditions concerning deficits in perception, concentration, learning or memory. The new compounds are also for the manufacture of medicaments for the treatment of Alzheimer's disease.

  本发明涉及一种新型的1,6-二取代吡唑嘧啶酮（Formula (I)），其中为单、双或三环杂环基，其环成员为碳原子，至少1个，优选1、2或3个杂原子，所述杂原子选自氮、氧和硫的群体，并以—S(O)r—的形式出现，其中r为0、1或2，所述杂环基是或包含1个非芳香、饱和或部分不饱和的单环环，其中至少包含1个杂原子作为环成员，并且所述杂环基通过所述1个非芳香、饱和或部分不饱和的单环环，其中至少包含1个杂原子作为环成员，与支架结合。根据本发明的一方面，新化合物用于制造药物，特别是用于治疗感知、注意力、学习或记忆缺陷的药物。新化合物也用于制造治疗阿尔茨海默病的药物。
• NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS
  申请人：GIOVANNINI Riccardo

  公开号：US20110082137A1

  公开（公告）日：2011-04-07

  The invention relates to novel 1,6-disubstituted pyrazolopyrimidinones of formula (I), in which Hc is a tetrahydropyranyl-group and R 1 is the group V—W−*, whereby V and W independently of each other may be an aryl group or an heteroaryl group, which independently of each other may optionally be substituted. According to one aspect of the invention the new compounds are for use as medicaments or for the manufacture of medicaments, in particular medicaments for the treatment of conditions concerning deficits in perception, concentration, learning or memory. The new compounds are also for the manufacture of medicaments and/or for use in the treatment of e.g. Alzheimer's disease, in particular for cognitive impairment associated with Alzheimer's disease.

  本发明涉及一种新型的1,6-二取代吡唑嘧啶酮化合物，其化学式为（I），其中Hc为四氢吡喃基团，R1为V-W−*基团，其中V和W各自独立地可以是芳基基团或杂环基团，可以选择地进行取代。根据本发明的一个方面，这些新化合物可用作药物或制药用途，特别是用于治疗与感知、注意力、学习或记忆缺陷有关的疾病。这些新化合物还可用于制药或用于治疗例如阿尔茨海默病等疾病，特别是用于与阿尔茨海默病相关的认知障碍的治疗。