1-hexene-1,6-dicarboxylic acid | 5698-50-0

• 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: 1-hexene-1,6-dicarboxylic acid
• 英文别名: 2-octene-1,8-dioic acid；2-Octenedioic acid；octenedioic acid；(E)-oct-2-enedioic acid
• CAS: 5698-50-0
• 化学式: C₈H₁₂O₄
• 分子量: 172.181
• InChiKey: BNTPVRGYUHJFHN-HWKANZROSA-N

物化性质

• 物理描述：
  Solid

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  6-Acetyloxy-2-(2-butan-2-yloxy-2-oxoethyl)hexanoic acid 、 6-Acetyloxy-8-butan-2-yloxy-8-oxooctanoic acid 生成 1-hexene-1,6-dicarboxylic acid
  参考文献：
  名称：

  Chandrasekhar Sosale, Deo Roy Chandra, J. Chem. Soc. Perkin Trans. 2, (1994) N 10, S 2141-2143

  摘要：

  DOI：

文献信息

• [EN] TRICYCLIC PYRROLO DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS<br/>[FR] DÉRIVÉS PYRROLO TRICYCLIQUES, LEUR PROCÉDÉ DE PRÉPARATION ET LEUR UTILISATION À TITRE D'INHIBITEURS DE KINASES
  申请人：NERVIANO MEDICAL SCIENCES SRL

  公开号：WO2012101032A1

  公开（公告）日：2012-08-02

  The present invention relates to tricyclic pyrrolo derivatives of Formula (I), which modulate the activity of protein kinases and are therefore useful in treating diseases caused by dysregulated protein kinase activity. The present invention also provides methods for preparing these compounds, pharmaceutical compositions comprising these compounds, and methods of treating diseases utilizing such these compounds or the pharmaceutical compositions containing them.

  本发明涉及式（I）的三环吡咯衍生物，其调节蛋白激酶的活性，因此在治疗由失调的蛋白激酶活性引起的疾病方面具有用途。本发明还提供了制备这些化合物的方法、包含这些化合物的药物组合物以及利用这些化合物或含有它们的药物组合物治疗疾病的方法。
• Process for preparing esters and organic halides
  申请人：BASF SE

  公开号：EP2532646A1

  公开（公告）日：2012-12-12

  A process for preparing esters and organic halides, which comprises reacting - a salt having a melting point of less than 100°C (at 1 bar) and of the formula          (K+)n X (COO-)n, in which K+ is an organic cation, X (COO-)n is an organic anion having an n-valent organic group X which is substituted by n carboxylate groups COO-, and n is 1, 2 or 3, - with an organic halogen compound (Hal)mY, in which Hal is a halogen atom, Y is an m-valent organic group, and m is 1, 2 or 3, to give an ester and a halide K+ Hal-.

  一种制备酯类和有机卤化物的过程，包括将熔点低于100°C（在1个大气压下）且具有以下结构的盐与有机卤化合物发生反应：（K+）n X（COO-）n，其中K+是有机阳离子，X（COO-）n是一个具有n价有机基X的有机阴离子，该有机基X被n个羧酸基COO-取代，n为1、2或3，而有机卤化合物（Hal）mY是一个m价有机基，其中Hal是卤素原子，Y是一个m价有机基，m为1、2或3，从而得到一个酯和一个卤化物K+ Hal-。
• [EN] METHOD FOR THE SYNTHESIS OF ALKANE-1-HYDROXY-1,1-DIPHOSPHONIC ACID<br/>[FR] PROCÉDÉ DE SYNTHÈSE DE L'ACIDE ALCANE-1-HYDROXY-1,1-DIPHOSPHONIQUE
  申请人：STRAITMARK HOLDING AG

  公开号：WO2015059287A1

  公开（公告）日：2015-04-30

  The present invention is related to a new method for the synthesis of alkane-1-hydroxy-,1-diphosphonic acid or its salts which includes the steps of -reacting tetraphosphorus hexaoxide and a carboxylic acid under controlled reaction conditions; -hydrolyzing the formed alkane-1-hydroxy-1,1-diphosphonic acid condensates to form alkane-1-hydroxy-1,1-diphosphonic acid; -precipitating the alkane-1-hydroxy-1,1-diphosphonic acid through the use of a suitable solvent; -filtering the alkane-1-hydroxy-1,1-diphosphonic acid and recovering the mother liquor and the suitable solvent.1 The process according to the method of the present invention is highly controllable and is further characterized by a high selectivity.

  本发明涉及一种合成烷基-1-羟基-1,1-二膦酸或其盐的新方法，包括以下步骤：-在控制的反应条件下，将四磷六氧化物和羧酸反应；-水解形成的烷基-1-羟基-1,1-二膦酸缩聚物以形成烷基-1-羟基-1,1-二膦酸；-通过使用适当的溶剂沉淀烷基-1-羟基-1,1-二膦酸；-过滤烷基-1-羟基-1,1-二膦酸并回收母液和适当的溶剂。根据本发明的方法，该过程具有高度可控性，并且具有高选择性。
• [EN] METAL-CATALYZED ALKOXYCARBONYLATION OF A LACTONE<br/>[FR] ALCOXYCARBONYLATION CATALYSÉE PAR UN MÉTAL D'UNE LACTONE
  申请人：QATAR FOUND EDUCATION SCIENCE & COMMUNITY DEV

  公开号：WO2018175332A1

  公开（公告）日：2018-09-27

  The metal-catalyzed alkoxycarbonylation of a lactone is a method of alkoxycarbonylating a δ-lactone, specifically 3-ethylidene-6-vinyltetrahydro-2H-pyran-2-one. The method includes combining the δ-lactone with an alcohol in an organic solvent in the presence of a catalyst system that includes palladium or a salt thereof to form a reaction mixture, which is heated to 110-130˚C at a pressure of 20-50 bar for between 3-5 hours under flow of carbon monoxide gas. The product of the reaction is a substituted 2-octendioate diester. The alcohol may be methyl alcohol, n-butyl alcohol, 2-ethylhexanol, isobutyl alcohol, isopropyl alcohol, benzyl alcohol, or phenol. The solvent may be toluene, acetonitrile, or tetrahydrofuran. The method may include adding an acid to the reaction mixture, which may be dilute (about 5 mol%) sulfuric or p-toluenesulfonic acid. The catalyst system may also include a phosphine ligand.

  δ-内酯的金属催化羟羰化是一种羟羰基化δ-内酯的方法，具体是3-乙烯基-6-乙烯基四氢-2H-吡喃-2-酮。该方法包括将δ-内酯与醇在有机溶剂中与包括钯或其盐的催化剂体系一起混合，形成反应混合物，然后在20-50巴的压力下，在110-130°C下在流动一氧化碳气体的条件下进行3-5小时的加热。反应的产物是取代的2-辛二酸二酯。醇可以是甲醇、正丁醇、2-乙基己醇、异丁醇、异丙醇、苄醇或酚。溶剂可以是甲苯、乙腈或四氢呋喃。该方法可能包括向反应混合物中添加酸，该酸可以是稀释的（约5摩尔％）硫酸或对甲苯磺酸。催化剂体系还可能包括膦配体。
• Thermal dimerization of alkali and alkaline earth acrylate–but-3-enoate and methacrylate–but-3-enoate binary systems in the solid state
  作者：Fumihiko Akutsu、Kaoru Aoyagi、Nozomu Nishimura、Masaaki Kudoh、Yoshio Kasashima、Mari Inoki、Kiyoshi Naruchi

  DOI：10.1039/p29960000889

  日期：——

  The solid state thermal reaction of binary salts obtained from a solution of an equimolar mixture of alkali or alkaline earth salts of but-3-enoic acid and methacrylic acid (3-BA–MA), after conversion to the methyl ester, gave mainly dimethyl (E)-hex-1-ene-1,5-dicarboxylate as a novel cross-coupled dimer. The highest conversion (62.2%) to the cross-coupled dimer was obtained using the potassium salts

  由丁-3-烯酸和甲基丙烯酸（3-BA-MA）的碱或碱土金属盐的等摩尔混合物形成的二元盐的固态热反应，转化为甲酯后，主要生成二甲基（E）-己-1-烯-1,5-二羧酸酯作为新型的交叉偶联的二聚体。使用钾盐在230°C加热2小时，可以得到最高的交联二聚体转化率（62.2％）。同样，交联的二聚体的甲酯，是由3-BA和丙烯酸（AA）的盐制得的，是（E）-戊-1-烯-1,5-二羧酸二甲酯（E）-戊-1-烯-1,5-二羧酸二甲酯。异构体酯二甲基（Ë也获得了）-戊-2-烯-1，5-二羧酸酯。3-BA–MA钾和3-BA–AA钾的X射线衍射图表明存在新相，不同于各个盐。选择性的交叉偶联二聚反应，而没有将3-BA重新排列为巴豆酸，聚合反应和交联反应，这是由于二元盐的新结晶相以及在单体盐和二聚盐之间形成了固溶体晶体。