c-3-methyl-4-ene-r-1,c-2-cyclohexenedicarboxylic acid | 15941-50-1

• 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: c-3-methyl-4-ene-r-1,c-2-cyclohexenedicarboxylic acid
• 英文别名: 3-methyl-Δ⁴-tetrahydrophtalic acid；3-methyl-4-cyclohexene-1,2-dicarboxylic acid；3-methyl-cyclohex-4-ene-1,2-dicarboxylic acid；3-Methyl-cyclohex-4-en-1,2-dicarbonsaeure；1-Methyl-2,3-dicarboxy-cyclohexen-(5)；3-Methylcyclohex-4-ene-1,2-dicarboxylic acid
• CAS: 15941-50-1；23667-61-0
• 化学式: C₉H₁₂O₄
• mdl: MFCD00037157
• 分子量: 184.192
• InChiKey: ZPRXNOLDOXHXIQ-UHFFFAOYSA-N

物化性质

• 熔点：
  154 °C
• 沸点：
  119 °C(Press: 2 Torr)
• 密度：
  1.1966 g/cm3(Temp: 25 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  c-3-methyl-4-ene-r-1,c-2-cyclohexenedicarboxylic acid 在 铑 氢气 作用下， 生成 (1S,2R,3R)-3-methyl-1,2-cyclohexanediamine
  参考文献：
  名称：

  环己烷衍生物金属配合物的研究。八。含(1R,2S,3S)-或(1S,2R,3R)-3-甲基-1,2-环己二胺的铂(II)和钴(III)配合物的制备及性能

  摘要：

  (1RS,2SR,3SR)-3-甲基-1,2-环己二胺 (3m-chxn) 是顺式-1,2-环己二胺的甲基衍生物，制备并进行光学拆分。获得的对映体的绝对构型是根据反式二氯双（二胺）配合物的棉花效应确定的，每个配合物都含有活性 3m-chxn。[Pt(NH3)2L]2+、[Pt(en)L]2+ 和 [CoL3]3+ 类型的配合物（en=1,2-乙二胺，L=R,S,S- 或 S ,R,R-3m-chxn) 也被合成并根据它们的吸收、CD 和 13C NMR 光谱进行表征。已经发现 R,S,S- 和 S,R,R-3m-chxn 采用的螯合环分别主要采用 δ 和 λ 构象，因为环己烷的 C2-C3 键的优选赤道取向戒指。[Co(R,S,

  DOI：

  10.1246/bcsj.57.3430
• 作为产物：
  描述：

  反-1,3-戊二烯 在 马来酸酐 作用下， 以 水 、 丙酮 为溶剂， 生成 c-3-methyl-4-ene-r-1,c-2-cyclohexenedicarboxylic acid
  参考文献：
  名称：

  Cycloaddition. I. The 1,2-Addition of 1,1-Dichloro-2,2-difluoroethylene to Some Dienes

  摘要：

  DOI：

  10.1021/ja01058a016

文献信息

• Facile esterification of carboxylic acids with organophosphorus reagents
  作者：V. Balasubramaniyan、V.G. Bhatia、S.B. Wagh

  DOI：10.1016/s0040-4020(01)88552-5

  日期：1983.1

  A mixture of alkyl phosphate esters (APE) obtained from P4O10 and alkanols taken in 1:6 mole ratio is an excellent esterification reagent for several classes of carboxylic acids. This new reagent offers several advantages compared to conventional reagents.

  由P 4 O 10获得的烷基磷酸酯（APE）和以1：6摩尔比获得的链烷醇的混合物是用于几类羧酸的优良酯化试剂。与常规试剂相比，这种新试剂具有多个优点。
• Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester
  申请人：Kawahara Yasuyuki

  公开号：US20050038283A1

  公开（公告）日：2005-02-17

  A diester represented by the formula wherein A represents a cyclohexane ring, cyclohexene ring or benzene ring, X is H or methyl group, R X and R Y are the same or different and each is C3-C18 branched-chain alkyl group, C1-C18 straight-chain alkyl group, C2-C18 straight-chain alkenyl or C3-C18 cycloalkyl, provided that when A is a benzene ring, R X and R Y are different from each other and —COOR X and —COOR Y are attached to two adjacent carbon atoms of the benzene ring, and having the following properties: 1) a total acid number of 0.05 mgKOH/g or less, 2) a sulfated ash content of 10 ppm or less, 3) a sulfur content of 20 ppm or less, 4) a phosphorus content of 20 ppm or less, 5) a peroxide value of 1.0 meq/kg or less, 6) a carbonyl value of 10 or less; 7) a volume resistivity of 1×10 11 Ω·cm or more, 8) a hydroxyl value of 3 mgKOH/g or less, and 9) a water content of 100 ppm or less, a process for preparing the same and a refrigerator lubricating oil comprising the diester.

  由以下公式表示的二酯，其中A代表环己烷环、环己烯环或苯环，X为H或甲基基团，RX和RY相同或不同，且每个均为C3-C18支链烷基基团、C1-C18直链烷基基团、C2-C18直链烯基或C3-C18环烷基，前提是当A为苯环时，RX和RY彼此不同，且—COORX和—COORY连接到苯环的两个相邻碳原子，并具有以下特性：1）总酸值为0.05 mgKOH/g或更低，2）硫酸盐灰分含量为10 ppm或更低，3）硫含量为20 ppm或更低，4）磷含量为20 ppm或更低，5）过氧化值为1.0 meq/kg或更低，6）羰基值为10或更低；7）体积电阻率为1×1011Ω·cm或更高，8）羟值为3 mgKOH/g或更低，9）水含量为100 ppm或更低，制备该二酯的方法以及包含该二酯的制冷剂润滑油。
• [EN] ASYMMETRIC CYCLIC DIESTER COMPOUNDS<br/>[FR] COMPOSÉS DIESTERS CYCLIQUES ASYMÉTRIQUES
  申请人：FERRO CORP

  公开号：WO2011071674A1

  公开（公告）日：2011-06-16

  Compounds useful as plasticizers and the synthesis thereof are disclosed. In general, the invention includes mixed alkyl/aryl asymmetric cyclic diesters where the aryl and alkyl ester moieties are attached to a cyclic structure at vicinal carbons. The invention also includes synthetic processes of making such compounds. Blends of these asymmetric cyclic diesters with other plasticizers are demonstrated to be of use in plasticizing polymers.

  本文披露了作为增塑剂有用的化合物及其合成方法。一般来说，该发明包括混合烷基/芳基不对称环状二酯，其中芳基和烷基酯基连接到环状结构的邻位碳上。该发明还包括制备这类化合物的合成过程。这些不对称环状二酯与其他增塑剂的混合物被证明在增塑聚合物中具有用途。
• Novel antibacterial agents
  申请人：Christensen G. Burton

  公开号：US20070134729A1

  公开（公告）日：2007-06-14

  This invention relates to novel multibinding compounds (agents) that are antibacterial agents. The multibinding compounds of the invention comprise from 2-10 ligands covalently connected by a linker or linkers, wherein each of said ligands in their monovalent (i.e., unlinked) state have the ability to bind to a an enzyme involved in cell wall biosynthesis and metabolism, a precursor used in the synthesis of the bacterial cell wall and/or the bacterial cell surface thereby interfere with the synthesis and/or metabolism of the cell wall. In particular the multibinding compounds of the invention comprise from 2-10 ligands covalently connected by a linker or linkers, wherein each of said ligands has a ligand domain capable of binding to penicillin binding proteins, a transpeptidase enzyme, a substrate of a transpeptidase enzyme, a beta-lactamase enzyme, pencillinase enzyme, cephalosporinase enzyme, a transglycoslase enzyme, or a transglycosylase enzyme substrate; Preferably, the ligands are selected from the beta lactam or glycopeptide class of antibacterial agents.

  本发明涉及一种新型多结合化合物（药剂），其为抗菌剂。该发明的多结合化合物由2-10个配体通过连接剂或连接剂共价连接而成，其中每个单价（即未连接的）配体具有与细胞壁生物合成和代谢中的酶、合成细菌细胞壁和/或细菌细胞表面的前体有结合能力，从而干扰细胞壁的合成和/或代谢。特别地，本发明的多结合化合物由2-10个配体通过连接剂或连接剂共价连接而成，其中每个配体具有能够结合青霉素结合蛋白、横向肽酶酶、横向肽酶酶底物、β-内酰胺酶、青霉素酶、头孢菌素酶、横向转移酶酶或横向转移酶酶底物的配体结构域。优选地，配体选自β-内酰胺类或糖肽类抗菌剂。
• Beta2-Adrenergic Receptor Agonists
  申请人：Moran Edmund J.

  公开号：US20080269344A1

  公开（公告）日：2008-10-30

  Disclosed are multibinding compounds which are β2 adrenergic receptor agonists and are useful in the treatment and prevention of respiratory diseases such as asthma, bronchitis. They are also useful in the treatment of nervous system injury and premature labor.

  本发明涉及多结合化合物，其是β2肾上腺素能受体激动剂，可用于治疗和预防哮喘、支气管炎等呼吸系统疾病。它们还可用于治疗神经系统损伤和早产。

表征谱图