1-methyl-3-oxo-cyclopentanecarboxylic acid | 85729-35-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-methyl-3-oxo-cyclopentanecarboxylic acid
• 英文别名: 1-Methyl-3-oxo-cyclopentancarbonsaeure；1-Methyl-3-oxocyclopentancarbonsaeure；1-Methyl-3-oxocyclopentane-1-carboxylic acid
• CAS: 85729-35-7
• 化学式: C₇H₁₀O₃
• mdl: MFCD19229085
• 分子量: 142.155
• InChiKey: DSYSJIYHGXBBFE-UHFFFAOYSA-N

物化性质

• 沸点：
  170 °C(Press: 12 Torr)
• 密度：
  1.226±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.714
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-methyl-3-oxo-cyclopentanecarboxylic acid 、 碘甲烷 生成 1-methyl-3-oxo-cyclopentanecarboxylic acid methyl ester
  参考文献：
  名称：

  3-碳甲氧基-3-甲基环戊酮的合成

  摘要：

  Ruzicka 报道了从乙酰丙酸乙酯通过几个步骤制备 3-carbethoxy-3-methylcyclopentanone (I)。在本研究中，通过以下路线，从丁二烯与甲基丙烯酸甲酯的加合物中合成相应的甲酯 (II)。

  DOI：

  10.1021/ja01177a519
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 sodium methylate 、 甲苯 、 xylene 作用下， 生成 1-methyl-3-oxo-cyclopentanecarboxylic acid
  参考文献：
  名称：

  3-碳甲氧基-3-甲基环戊酮的合成

  摘要：

  Ruzicka 报道了从乙酰丙酸乙酯通过几个步骤制备 3-carbethoxy-3-methylcyclopentanone (I)。在本研究中，通过以下路线，从丁二烯与甲基丙烯酸甲酯的加合物中合成相应的甲酯 (II)。

  DOI：

  10.1021/ja01177a519

文献信息

• Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity
  申请人：Butora Gabor

  公开号：US20080081803A1

  公开（公告）日：2008-04-03

  The present invention is directed to compounds of the formula I: Wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , X, n and the broken lines are as defined herein which are useful as modulators of chemokine receptor activity. In particular, these compounds are useful as modulators of the chemokine receptor CCR-2.

  本发明涉及以下式I的化合物： 其中R1、R2、R3、R4、R5、R6、R7、R8、R9、X、n和虚线如本文所定义，这些化合物可用作趋化因子受体活性的调节剂。特别地，这些化合物可用作趋化因子受体CCR-2的调节剂。
• 2,6-Disubstituted piperiddines as modulators
  申请人：Yang Lihu

  公开号：US20070179158A1

  公开（公告）日：2007-08-02

  The present invention is further directed to compounds of formula (I): wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 16 , R 17 , R 18 , R 19 , R 20 , R 21 and R 22 are as defined herein) which are modulators of chemokine receptor activity and are useful in the prevention or treatment of certain inflammatory and immunoregulatory disorders and diseases, allergic diseases, atopic conditions including allergic rhinitis, dermatitis, conjunctivitis, and asthma, as well as autoimmune pathologies such as rheumatoid arthritis and atherosclerosis. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which chemokine receptors are involved.

  本发明进一步涉及具有以下结构的化合物（I）：其中R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R16、R17、R18、R19、R20、R21和R22如本文所定义），这些化合物是趋化因子受体活性的调节剂，并且在预防或治疗某些炎症和免疫调节性疾病、过敏性疾病、包括过敏性鼻炎、皮炎、结膜炎和哮喘等特应性疾病，以及风湿性关节炎和动脉粥样硬化等自身免疫病理学方面是有用的。本发明还涉及包含这些化合物的药物组合物以及这些化合物和组合物在预防或治疗涉及趋化因子受体的疾病中的用途。
• Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity
  申请人：Goble D. Stephen

  公开号：US20070117797A1

  公开（公告）日：2007-05-24

  Compounds of the formula (I) which are modulators of chemokine receptor activity useful in the prevention or treatment of certain inflammatory and immunoregulatory disorders and diseases, allergic diseases, atopic conditions including allergic rhinitis, dermatitis, conjunctivitis, and asthma, as well as autoimmune pathologies such as rheumatoid arthritis and atherosclerosis, and pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which chemokine receptors are involved.

  公式(I)的化合物是化学趋化因子受体活性调节剂，对预防或治疗某些炎症和免疫调节性疾病和疾病、过敏性疾病、包括过敏性鼻炎、皮炎、结膜炎和哮喘等特应性疾病，以及风湿性关节炎和动脉粥样硬化等自身免疫病理学，以及包含这些化合物的药物组合物，以及这些化合物和组合物在涉及化学趋化因子受体的疾病的预防或治疗中的用途。
• Novel peptide derivatives and their pharmaceutical use
  申请人：JAPAN TOBACCO INC.

  公开号：EP0384380A2

  公开（公告）日：1990-08-29

  Peptide derivatives of the following general formula wherein R1 and R2 are the same or different and respectively mean a hydrogen atom or a C1 -5 alkyl group, R3 and R4 are the same or different and respectively mean a hydrogen atom or a C1 -5 alkyl or phenyl, or R3 and R4 combinedly mean a C2-7 alkylene group, Rs and R6 are the same or different and respectively mean a hydrogen atom or a C1-5 alkyl group, X means -NH-, -O- or -CH2-, Y means -CH2- or -S-, and m and n respectively mean 0 or 1, provided that when X is -NH- or -O-, m is 1 and all of R1, R2, R3 and R4 do not mean a hydrogen atom at the same time; acid addition salts thereof; and pharmaceutical use thereof. Since the compounds and their acid addition salts of the present invention possess more potent actions on central nervous system (e.g. antagonistic action against hypothermia, locomotor stimulant action, spinal reflex stimulant action), they are of use as a therapeutic medicament for central nervous disorders such as impaired consciousness, depression, hypomnesia, the like in association with schizophrenia, melancholia, senile dementia, sequelae of cerebrovascular disorders, head trauma, epilepsy and spinocerebellar degeneracy.

  通式如下的多肽衍生物 其中 R1 和 R2 相同或不同，分别表示氢原子或 C1-5 烷基，R3 和 R4 相同或不同，分别表示氢原子或 C1-5 烷基或苯基，或 R3 和 R4 合起来表示 C2-7 亚烷基、Rs和R6相同或不同，分别表示氢原子或C1-5烷基，X表示-NH-、-O-或-CH2-，Y表示-CH2-或-S-，m和n分别表示0或1，但当X为-NH-或-O-时，m为1，且所有R1、R2、R3和R4不同时表示氢原子；其酸加成盐；及其医药用途。 由于本发明的化合物及其酸加成盐对中枢神经系统具有更强的作用（例如对低体温的拮抗作用、运动刺激作用、脊髓反射刺激作用），因此它们可用作治疗中枢神经疾病的药物，如与精神分裂症、忧郁症、老年痴呆症、脑血管疾病后遗症、头部创伤、癫痫和脊髓小脑变性有关的意识障碍、抑郁、失眠等。
• Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity
  申请人：Jiao Richard

  公开号：US20050101628A1

  公开（公告）日：2005-05-12

  The present invention is directed to compounds of the formula I: (wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , X, n and the dashed line are defined herein) which are useful as modulators of chemokine receptor activity. In particular, these compounds are useful as modulators of the chemokine receptor CCR-2. The present invention is also directed to intermediates useful in the preparation of formula I compounds.

  本发明涉及式 I 的化合物： (其中 R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 X、n 和虚线的定义），可用作趋化因子受体活性的调节剂。特别是，这些化合物可用作趋化因子受体 CCR-2 的调节剂。本发明还涉及用于制备式 I 化合物的中间体。