2-cyano-5-formylbicyclo[2.2.1]heptane | 84898-04-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-cyano-5-formylbicyclo[2.2.1]heptane
• 英文别名: 2-Cyano-5-formyl bicyclo[2.2.1]heptane；5-formylbicyclo[2.2.1]heptane-2-carbonitrile
• CAS: 84898-04-4
• 化学式: C₉H₁₁NO
• mdl: MFCD18826850
• 分子量: 149.192
• InChiKey: ADBHRKSAERMERV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.777
• 拓扑面积：
  40.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N,O-双(三氟乙酰基)羟胺 、 2-cyano-5-formylbicyclo[2.2.1]heptane 在 吡啶 作用下， 以 水 、 苯 为溶剂， 以73%的产率得到双环[2.2.1]庚烷-2,5-二腈
  参考文献：
  名称：

  DIGUANAMINE, AND PRODUCTION, DERIVATIVE AND USE THEREOF

  摘要：

  公开号：

  EP0634406B1
• 作为产物：
  描述：

  6-甲酰基双环[2.2.1]庚烷-2-甲腈 、 甲醇 在 钴 作用下， 以89.5 g (0.6 mol) of 2-Cyano-5-formyl bicyclo[2.2.1]heptane and 2-cyano-6-formyl bicyclo[2.2.1]heptane which had been obtained in Example 1, methanol (89.5 g) and 4.5 g (as dried mass) of Raney cobalt catalyst (cobalt 94 mass %, aluminum 3.5 mass %, manganese 2.1 mass %)的产率得到2-cyano-5-formylbicyclo[2.2.1]heptane
  参考文献：
  名称：

  Process for producing aldehyde compounds

  摘要：

  一种制备本发明醛化合物的方法，包括：在含有属于8至10族金属和磷化合物的化合物存在下，将下式（a1）或（a2）所代表的化合物与氢气和一氧化碳反应，满足以下条件（1）和（2）以合成醛化合物；其中条件（1）是，在含有属于8至10族金属的化合物中，金属含量相对于下式（a1）或（a2）的1摩尔为0.01 ppmmol至300 ppmmol；条件（2）是，磷化合物（mol）/金属（mol）的摩尔比为100或更高。

  公开号：

  US09227925B2

文献信息

• PURIFICATION METHOD OF ALDEHYDE COMPOUND
  申请人：MITSUI CHEMICALS, INC.

  公开号：US20150291513A1

  公开（公告）日：2015-10-15

  The purification method of an aldehyde compound of the present invention includes a step of neutralizing a reaction solution containing an aldehyde compound by adding water and a base compound to the reaction solution, and a step of distilling the neutralized reaction solution, in which the reaction solution is obtained by reacting a compound represented by the following Formula (a1) or (a2) with hydrogen and carbon monoxide in the presence of a metal compound of groups 8 to 10 and a phosphorus compound, the phosphorus compound is represented by Formula (R 1 O) 3 P, and the base compound is at least one kind selected from among carbonate and hydrogen carbonate of metals of group I on the periodic table and carbonate and hydrogen carbonate of metals of group II on the periodic table.

  本发明的醛化合物的纯化方法包括以下步骤：通过向含有醛化合物的反应溶液中加入水和碱性化合物来中和反应溶液，以及蒸馏中和后的反应溶液。其中，该反应溶液是通过在8至10族金属化合物和磷化合物存在下，将以下式（a1）或（a2）所代表的化合物与氢气和一氧化碳反应而得到的。磷化合物由式（R1O）3P表示，碱性化合物是周期表上I族金属的碳酸盐和氢碳酸盐以及II族金属的碳酸盐和氢碳酸盐中至少选择一种。
• PROCESS FOR PRODUCING ALDEHYDE COMPOUNDS
  申请人：Kuma Shigetoshi

  公开号：US20140088321A1

  公开（公告）日：2014-03-27

  A process for producing an aldehyde compound of the invention comprising: reacting a compound represented by the following formula (a1) or (a2) with a hydrogen and a carbon monoxide in a presence of a compound containing a metal belonging to Groups 8 to 10 and a phosphorous compound so as to satisfy the following conditions (1) and (2) to synthesize an aldehyde compound; wherein the condition (1) is that a content of a metal included in the compound containing a metal belonging to Groups 8 to 10 is 0.01 ppmmol to 300 ppmmol with respect to 1 mol of the compound represented by the formula (a1) or (a2), and wherein the condition (2) is that a molar ratio represented by the phosphorous compound (mol)/the metal (mol) is 100 or more;

  一种制备本发明醛化合物的方法，包括：将下式（a1）或（a2）所表示的化合物与氢和一氧化碳在含有属于8到10族金属的化合物和磷化合物的存在下反应，以满足以下条件（1）和（2）来合成醛化合物；其中条件（1）是所含有的属于8到10族金属的化合物中金属的含量相对于下式（a1）或（a2）的1摩尔为0.01 ppmmol至300 ppmmol，条件（2）是磷化合物（mol）/金属（mol）的摩尔比为100或更多。
• Improved metal-ligand complex catalysed processes
  申请人：Union Carbide Chemical & Plastics Technology Corporation

  公开号：EP1764353A1

  公开（公告）日：2007-03-21

  A process for separating one or more cyclic products from a reaction product fluid comprising one or more cyclic reactants, a metal-organophosphorus ligand complex catalyst, optionally free organophosphorus ligand, a non-polar solvent and said one or more cyclic products, wherein said process comprises: (1) reacting said one or more cyclic reactants in the presence of said metal-organophosphorus ligand complex catalyst, optionally free organophosphorus ligand and non-polar solvent to form a multiphase reaction product fluid; and (2) separating said multiphase reaction product fluid to obtain a non-polar phase comprising said one or more cyclic reactants, metal-organophosphorus ligand complex catalyst, optionally free organophosphorus ligand and non-polar solvent and a polar phase comprising said one or more cyclic products.

  一种从包含一种或多种环状反应物、金属有机磷配体络合催化剂、可选游离有机磷配体、非极性溶剂和所述一种或多种环状产物的反应产物流体中分离一种或多种环状产物的工艺，其中所述工艺包括：(1) 在所述金属-有机磷配体络合催化剂、可选游离有机磷配体和非极性溶剂存在下，使所述一种或多种环状反应物发生反应，以形成多相反应产物流体；以及 (2) 分离所述多相反应产物流体，以获得包含所述一种或多种环状反应物、金属-有机磷配体络合催化剂、可选游离有机磷配体和非极性溶剂的非极性相，以及包含所述一种或多种环状产物的极性相。
• METHOD FOR PURIFYING ALDEHYDE COMPOUND
  申请人：Mitsui Chemicals, Inc.

  公开号：EP2918577A1

  公开（公告）日：2015-09-16

  The purification method of an aldehyde compound of the present invention includes a step of neutralizing a reaction solution containing an aldehyde compound by adding water and a base compound to the reaction solution, and a step of distilling the neutralized reaction solution, in which the reaction solution is obtained by reacting a compound represented by the following Formula (a1) or (a2) with hydrogen and carbon monoxide in the presence of a metal compound of groups 8 to 10 and a phosphorus compound, the phosphorus compound is represented by Formula (R1O)3P, and the base compound is at least one kind selected from among carbonate and hydrogen carbonate of metals of group I on the periodic table and carbonate and hydrogen carbonate of metals of group II on the periodic table.

  本发明的醛化合物的纯化方法包括通过向含有醛化合物的反应溶液中加入水和碱化合物来中和反应溶液的步骤，以及蒸馏中和反应溶液的步骤，其中反应溶液是由下式(a1)或(a2)表示的化合物在第8至10族金属化合物和磷化合物存在下与氢气和一氧化碳反应得到的、磷化合物由式 (R1O)3P 表示，而碱化合物至少是一种选自元素周期表中第 I 族金属的碳酸盐和碳酸氢盐以及元素周期表中第 II 族金属的碳酸盐和碳酸氢盐。
• Purification method of aldehyde compound
  申请人：Mitsui Chemicals, Inc.

  公开号：US10399930B2

  公开（公告）日：2019-09-03

  A manufacturing method of an isocyanate compound including obtaining a reaction solution containing an aldehyde compound by reacting a compound represented by Formula (a1) or (a2) with hydrogen and carbon monoxide in the presence of a metal compound of groups 8 to 10 and a phosphorus compound, neutralizing the reaction solution, purifying an aldehyde compound by distilling the neutralized reaction solution, reacting the aldehyde compound with ammonia and with hydrogen in the presence of a catalyst to obtain an amine compound; and reacting the amine compound with a carbonylating agent to obtain an isocyanate compound, wherein the phosphorus compound is represented by the Formula (R1O)3P, and the base compound is at least one selected from carbonate and hydrogen carbonate of metals of group I and carbonate and hydrogen carbonate of metals of group II, wherein the neutralizing the reaction solution is performed within a temperature range of 40° C. to 50° C.

  一种异氰酸酯化合物的制造方法，包括通过使式(a1)或(a2)代表的化合物在第 8 至 10 族金属化合物和磷化合物存在下与氢气和一氧化碳反应获得含有醛化合物的反应溶液，中和反应溶液，通过蒸馏中和反应溶液纯化醛化合物，使醛化合物在催化剂存在下与氨和氢气反应获得胺化合物；其中磷化合物用式 (R1O)3P 表示，碱化合物至少选自 I 族金属的碳酸盐和碳酸氢盐以及 II 族金属的碳酸盐和碳酸氢盐中的一种、 其中中和反应溶液的温度范围为 40°C 至 50°C。