1,2-Dimethyl-cyclopentancarbonsaeure | 90112-67-7

• 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
• 英文名称: 1,2-Dimethyl-cyclopentancarbonsaeure
• 英文别名: 1,2-Dimethylcyclopentane-1-carboxylic acid
• CAS: 90112-67-7
• 化学式: C₈H₁₄O₂
• mdl: MFCD19229554
• 分子量: 142.198
• InChiKey: JXMSFZKDBXONOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.29
• 重原子数：
  10.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.875
• 拓扑面积：
  37.3
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1,2-Dimethyl-cyclopentancarbonsaeure 、 甲基锂 以 乙醚 为溶剂， 反应 4.0h， 以56%的产率得到1-(1,2-dimethylcyclopentyl)ethanone
  参考文献：
  名称：

  On the mechanism of the intramolecular samarium Barbier reaction. Probes for formation of radical and organosamarium intermediates

  摘要：

  A new type of mechanistic probe for the intramolecular samarium Barbier reaction has been designed, and two different probe substrates have been investigated in detail. Remarkably, no unambiguous evidence could be obtained in favor of any of the obvious intermediates (free alkyl or alkoxy radicals, ketyls, organosamarium species) that are postulated for this reaction. Several possibilities for modified mechanisms are suggested. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00608-x
• 作为产物：
  描述：

  1-甲基-2-氧代环戊烷羧酸甲酯 在 palladium on activated charcoal sodium hydroxide 、 potassium tert-butylate 、 氢气 作用下， 反应 32.0h， 生成 1,2-Dimethyl-cyclopentancarbonsaeure
  参考文献：
  名称：

  On the mechanism of the intramolecular samarium Barbier reaction. Probes for formation of radical and organosamarium intermediates

  摘要：

  A new type of mechanistic probe for the intramolecular samarium Barbier reaction has been designed, and two different probe substrates have been investigated in detail. Remarkably, no unambiguous evidence could be obtained in favor of any of the obvious intermediates (free alkyl or alkoxy radicals, ketyls, organosamarium species) that are postulated for this reaction. Several possibilities for modified mechanisms are suggested. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00608-x

文献信息

• [EN] ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS<br/>[FR] DÉRIVÉS CYCLIQUES ACYLAMINO-SUBSTITUÉS DE L'ACIDE CARBOXYLIQUE ET LEUR UTILISATION EN TANT QUE PRODUITS PHARMACEUTIQUES
  申请人：SANOFI AVENTIS

  公开号：WO2011053948A1

  公开（公告）日：2011-05-05

  The present invention relates to compounds of the formula (I) wherein A, Y, Z, R20 to R22 and R50 have the meanings indicated in the claims, which are valuable pharmaceutical active compounds. Specifically, they are inhibitors of the endothelial differentiation gene receptor 2 (Edg-2, EDG2), which is activated by lysophosphatidic acid (LPA) and is also termed as LPA1 receptor, and are useful for the treatment of diseases such as atherosclerosis, myocardial infarction and heart failure, for example. The invention furthermore relates to processes for the preparation of the compounds of the formula (I), their use and pharmaceutical compositions comprising them.

  本发明涉及式(I)的化合物，其中A、Y、Z、R20至R22和R50具有索引中指示的含义，这些化合物是有价值的药用活性化合物。具体来说，它们是内皮分化基因受体2（Edg-2，EDG2）的抑制剂，该受体被溶血磷脂酸（LPA）激活，也被称为LPA1受体，对于治疗动脉粥样硬化、心肌梗死和心力衰竭等疾病是有用的。此外，本发明还涉及制备式(I)化合物的方法、它们的用途以及包含它们的药物组合物。
• Pyrrolopyrazine kinase inhibitors
  申请人：Bamberg Joe Timothy

  公开号：US20100267666A1

  公开（公告）日：2010-10-21

  The present invention relates to the use of novel pyrrolopyrazine derivatives of Formula I, wherein the variables Q 1 , R, and X are defined as described herein, which inhibit JAK and SYK and are useful for the treatment of auto-immune and inflammatory diseases.

  本发明涉及一种新型吡咯吡嗪衍生物的使用，其化学式为I，其中变量Q1、R和X的定义如下所述，该化合物抑制JAK和SYK，并且对于治疗自身免疫和炎症性疾病有用。
• ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES
  申请人：Universal Display Corporation

  公开号：EP3492528A1

  公开（公告）日：2019-06-05

  A composition comprising a first compound capable of functioning as a phosphorescent emitter in an organic light emitting device (OLED) at room temperature is disclosed. The first compound has the formula of Ir(L1)2(L2), wherein L1 has the formula selected from the group consisting of: and wherein L2 has the formula: wherein at least one Ra, Rb, Rc, or Rd present in the first compound includes at least one R, wherein R is of Formula I: In the structure of Formula I, R1 includes at least one fluorine atom; R2 represents mono to a maximum possible number of substitutions, or no substitution; each R2 is a hydrogen or one of a variety of substituents; L is an organic linker or direct bond; any two R1, R2 substituents may be joined or fused together to form a ring; the dashed line of Formula I is a bond to a first aromatic ring of the at least one aromatic ring; and n is an integer from 1 to 10. Organic light emitting devices (OLEDs) and consumer products containing the compounds are also disclosed.

  本发明公开了一种包含第一种化合物的组合物，该化合物能够在室温下用作有机发光器件（OLED）中的磷光发射器。 第一种化合物的化学式为 Ir(L1)2(L2)，其中 L1 的化学式选自由以下组成的组： 和 其中 L2 的式为 其中存在于第一种化合物中的至少一个 Ra、Rb、Rc 或 Rd 包括至少一个 R，其中 R 为式 I： 在式 I 的结构中，R1 包括至少一个氟原子；R2 代表单取代基至最大可能取代基数，或无取代基；每个 R2 是氢或多种取代基之一；L 是有机连接体或直接键；任意两个 R1、R2 取代基可连接或融合在一起形成一个环；式 I 的虚线是与至少一个芳香环的第一个芳香环的键合；n 是 1 至 10 的整数。 此外，还公开了含有这些化合物的有机发光器件（OLED）和消费品。
• NAKATANI, HIROSHI;SO, TARU SU;ISHIBASHI, HIROYUKI;IKEDA, MASAZUMI, CHEM. AND PHARM. BULL., 38,(1990) N, C. 1233-1237
  作者：NAKATANI, HIROSHI、SO, TARU SU、ISHIBASHI, HIROYUKI、IKEDA, MASAZUMI

  DOI：——

  日期：——
• PYRROLOPYRAZINE KINASE INHIBITORS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2245033B1

  公开（公告）日：2011-08-31