2-Methylcyclohexaneacetic acid | 6617-04-5

• 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: 2-Methylcyclohexaneacetic acid
• 英文别名: <2-Methyl-cyclohexyl>-essigsaeure；(2-methyl-cyclohexyl)-acetic acid；(2-Methyl-cyclohexyl)-essigsaeure；1-Methyl-cyclohexan-essigsaeure-(2)；2-(2-methylcyclohexyl)acetic Acid
• CAS: 6617-04-5
• 化学式: C₉H₁₆O₂
• 分子量: 156.225
• InChiKey: XZOWBIJUQVPEKP-UHFFFAOYSA-N

物化性质

• 沸点：
  240.47°C (rough estimate)
• 密度：
  1.0120

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-Methylcyclohexaneacetic acid 在 phosphorus pentoxide 、 甲苯 作用下， 生成 1-(2-methyl-cyclohexylmethyl)-4,9-dihydro-3H-β-carboline
  参考文献：
  名称：

  3-甲基和3-乙基-2-2'-吡啶基吲哚

  摘要：

  DOI：

  10.1039/jr9550002865
• 作为产物：
  描述：

  2-甲基环己酮 在 palladium on activated charcoal 水 、 氢气 作用下， 以 正己烷 为溶剂， 25.0~160.0 ℃ 、101.33 kPa 条件下， 反应 4.0h， 生成 2-Methylcyclohexaneacetic acid
  参考文献：
  名称：

  Stereochemical studies of alkyl methylcyclohexaneacetates with 13C NMR spectroscopy in relation to their attractiveness to the german cockroach.

  摘要：

  所有的甲基甲基环己酸酯的空间异构体被合成出来。它们的非对映异构体对通过制备气相色谱分开。根据它们的13C NMR光谱中环甲基碳的化学位移值，分别将顺式或反式构型分配给这些气相色谱分馏，这些值与相应的二甲基环己烷的值非常接近。通过使用轴向和赤道甲基碳的化学位移值作为参数，确定了热力学上不太稳定的非对映异构体的构象组成。用于生物测试的丙基甲基环己酸酯异构体也以类似方式分开，并通过将其环甲基碳的位移值与甲基酯的值进行比较来确定其构型。通过比较捕获测试评估了非对映异构体对之间的相对活性。结果是：顺式-4-甲基异构体 > 反式-4-甲基异构体；反式-3-甲基异构体 > 顺式-3-甲基异构体；反式-2-甲基异构体 > 顺式-2-甲基异构体。顺式-4-甲基异构体展现出的活性与母体化合物相当。

  DOI：

  10.1271/bbb1961.45.1553

文献信息

• Cycloalkylamides and their therapeutic applications
  申请人：——

  公开号：US20040209858A1

  公开（公告）日：2004-10-21

  The present invention relates to the use of compounds of formula (I) 1 for the treatment of a variety of disorders including, but not limited to, epilepsy, bipolar disorder, psychiatric disorders, migraine, pain, neuroprotection, and movement disorders.

  本发明涉及使用式(I)1的化合物治疗多种疾病，包括但不限于癫痫、双相情感障碍、精神障碍、偏头痛、疼痛、神经保护和运动障碍。
• [EN] CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY<br/>[FR] PYRIDINES CONDENSEES ET PYRIMIDINES A ACTIVITE TIE2 (TEK)
  申请人：ASTRAZENECA AB

  公开号：WO2004013141A1

  公开（公告）日：2004-02-12

  A compound of the Formula (I), wherein A together with the carbon atoms to which it is attached forms a fused 5-membered heteroaryl ring, wherein said heteroaryl ring contains 1 or 2 heteroatoms selected from O, N and S, and wherein the 5-membered ring containing G is linked to the ring formed by A in the meta position to the bridgehead carbon marked # in Formula (I); G is selected from O, S and NR5; Z is selected from N and CR6; Q1 is selected from optionally substituted aryl and heteroaryl, and the substituents R1 to R6 are as defined in the text for use in the production of an anti-angiogenic effect in a warm blooded animal such as man.

  化合物的公式（I），其中A与其连接的碳原子一起形成一个融合的5-成员杂环芳烃环，其中所述的杂环芳烃环包含1个或2个从O、N和S中选择的杂原子，并且包含G的5-成员环与在公式（I）中标记为桥头碳#的A形成的环在间位连接；G从O、S和NR5中选择；Z从N和CR6中选择；Q1从可选择的取代芳基和杂环芳基中选择，取代基R1到R6如文本中所定义，用于在温血动物（如人）中产生抗血管生成作用。
• NOVEL COMPOUND AND MEDICAL USE THEREOF
  申请人：Kokubo Masaya

  公开号：US20130245074A1

  公开（公告）日：2013-09-19

  Provided is a levodopa prodrug that overcomes the problems attributed to the blood kinetics of levodopa such as large number of doses and the incidence of side effects due to frequent dosing. (2S)-2-Amino-3-(3,4-bis((2-(benzoyloxy)-2-methylpropanoyl)oxy)phenyl)propanoic acid, a salt thereof, or a solvate thereof is a levodopa prodrug, and provides a flat blood concentration-time profile of levodopa through oral administration, and therefore is useful as a preventive and/or therapeutic agent for Parkinson's disease and/or Parkinson's syndrome that overcomes the problems associated with pharmaceutical preparations of levodopa.

  提供了一种左多巴前药，它克服了左多巴的血液动力学问题，例如需要大量剂量和频繁给药导致的副作用。其化学名为(2S)-2-氨基-3-(3,4-双((2-(苯甲酰氧基)-2-甲基丙酰氧)苯基)丙酸，其盐或溶剂化合物是左多巴前药，通过口服给药提供了左多巴平稳的血药浓度时间曲线，因此可用作克服左多巴药物制剂相关问题的帕金森病和/或帕金森综合征的预防和/或治疗药物。
• [EN] PART-STREAM DISTILLATION<br/>[FR] DISTILLATION DE FLUX PARTIEL
  申请人：BASF SE

  公开号：WO2016066629A1

  公开（公告）日：2016-05-06

  A continuous process for the preparation of propylene oxide, comprising (a) reacting propene with hydrogen peroxide in a reaction apparatus in the presence of acetonitrile as solvent, obtaining a stream SO containing propylene oxide, acetonitrile, water, at least one further component B wherein the normal boiling point of the at least one component B is higher than the normal boiling point of acetonitrile; (b) separating propylene oxide from SO, obtaining a stream SI containing acetonitrile, water and the at least one further component B; (c) dividing S1 into two streams S2 and S3; (d) subjecting S3 to a vapor-liquid fractionation in a first fractionation unit, obtaining a vapor fraction stream S4 a being depleted, relative to S3, of at least one of the at least one component B and obtaining a liquid bottoms stream S4b, and subjecting at least part of the vapor fraction stream S4 a to a vapor-liquid fractionation in a second fractionation unit, obtaining a vapor fraction stream S4c and a liquid bottoms stream S4 being depleted, relative to S4a, of at least one of the at least one component B; (e) recycling at least a portion of S4, optionally after work-up, to (a).

  一种制备丙烯氧的连续工艺，包括(a)在存在乙腈作为溶剂的反应装置中，将丙烯与过氧化氢反应，得到含有丙烯氧、乙腈、水和至少一种进一步组分B的流SO；(b)从SO中分离丙烯氧，得到含有乙腈、水和至少一种进一步组分B的流SI；(c)将S1分成两个流S2和S3；(d)在第一分馏装置中对S3进行汽液分馏，得到贫化至少一种组分B的汽相流S4a相对于S3，并得到液体底流S4b，并对至少部分汽相流S4a进行第二分馏装置的汽液分馏，得到汽相流S4c和贫化至少一种组分B的液体底流S4；(e)将至少一部分S4回收，可选地经过后续处理后返回(a)。
• PROCESS FOR PREPARING PROPYLENE OXIDE
  申请人：BASF SE

  公开号：US20160176834A1

  公开（公告）日：2016-06-23

  A continuous process for the preparation of propylene oxide, comprising (i) providing a liquid feed stream comprising propene, hydrogen peroxide, acetonitrile, water, optionally propane, and at least one dissolved potassium salt of a phosphorus oxyacid wherein the molar ratio of potassium relative to phosphorus in the at least one potassium salt of a phosphorus oxyacid is in the range of from 0.6 to 1.4; (ii) passing the liquid feed stream provided in (i) into an epoxidation reactor comprising a catalyst comprising a titanium zeolite of structure type MVVW comprising zinc, and subjecting the liquid feed stream to epoxidation reaction conditions in the epoxidation reactor, obtaining a reaction mixture comprising propylene oxide, acetonitrile, water, the at least one dissolved potassium salt of a phosphorus oxyacid, optionally propene, and optionally propane; (iii) removing an effluent stream from the epoxidation reactor, the effluent stream comprising propylene oxide, acetonitrile, water, at least a portion of the at least one dissolved potassium salt of a phosphorus oxyacid, optionally propene, and optionally propane.

  一种制备丙烯醚的连续过程，包括(i)提供液态进料流，包括丙烯、过氧化氢、乙腈、水、可选的丙烷和至少一种磷氧酸钾盐，其中至少一种磷氧酸钾盐中钾与磷的摩尔比在0.6至1.4范围内；(ii)将提供的液态进料流引入包含一种结构类型为MVVW的钛沸石催化剂的环氧化反应器中，并在环氧化反应器中进行环氧化反应条件，得到反应混合物，包括丙烯醚、乙腈、水、至少一种磷氧酸钾盐、可选的丙烷和可选的丙烯；(iii)从环氧化反应器中移除流出的废液流，该废液流包括丙烯醚、乙腈、水、至少一部分磷氧酸钾盐、可选的丙烷和可选的丙烯。