2-methyl 2-propenoic acid 6-isocyanatohexyl ester

• 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-methyl 2-propenoic acid 6-isocyanatohexyl ester
• 英文别名: 2-methyl-acrylic acid 6-isocyanato-hexyl ester；2-methylacrylic acid 6-isocyanatohexyl ester；6-Isocyanatohexyl 2-methylprop-2-enoate
• 化学式: C₁₁H₁₇NO₃
• 分子量: 211.261
• InChiKey: ISDYQNBADWDQAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  15
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  55.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  sodium isocyanate 、 6-bromohexyl methacrylate 在 四丁基溴化铵 作用下， 以 乙腈 为溶剂， 反应 22.0h， 以18%的产率得到tris-<6-(2-methyl 2-propenoic acid) hexyl ester> isocyanuric acid ester
  参考文献：
  名称：

  （甲基）丙烯酸单体的新的选择性合成：异氰酸酯氨基甲酸酯脲和异氰脲酸酯衍生物。

  摘要：

  在适当的相转移催化条件下，氰酸钠与（甲基）丙烯酸卤代烷基酯的缩合导致选择性形成含有异氰酸酯，氨基甲酸酯，脲或异氰脲酸酯基团的单体。这些衍生物的这些新合成的选择性取决于反应介质的温度和水含量。

  DOI：

  10.1016/s0040-4039(00)79246-x

文献信息

• COMPOSITION, PRODUCTION METHOD FOR COMPOSITION, AND PRODUCTION METHOD FOR UNSATURATED COMPOUND
  申请人：SHOWA DENKO K.K.

  公开号：US20210198184A1

  公开（公告）日：2021-07-01

  The invention relates to a composition excellent in stability during storage and stability during utilization, and relates to a method of producing the composition. The composition includes a compound (A) represented by general formula (1) and a compound (B) represented by general formula (2), and includes 0.00002 to 0.2 parts by mass of the compound (B) with respect to 100 parts by mass of the compound (A), (R 1 —COO) n —R 2 —(NCO) m (1) (R 1 —COO) n —R 2 —(R 3 —R 1 ) m (2) wherein in general formulae (1) and (2), R 1 is an ethylenically unsaturated group having 2 to 7 carbon atoms; R 2 is a (m+n)-valent hydrocarbon group having 1 to 7 carbon atoms and optionally contains an ether group; R 1 and R 2 in the general formula (1) are the same as R 1 and R 2 in the general formula (2); in general formula (2), R 3 is —NHC(═O)—; and n and m each represent an integer of one or two.

  本发明涉及一种在储存期间和使用期间稳定性优异的组成物，以及该组成物的生产方法。所述组成物包括由通用公式（1）表示的化合物（A）和由通用公式（2）表示的化合物（B），并且包括相对于100部分质量的化合物（A）的0.00002至0.2部分质量的化合物（B），(R1—COO)n—R2—(NCO)m(1)(R1—COO)n—R2—(R3—R1)m(2)其中在通用公式（1）和（2）中，R1是具有2至7个碳原子的乙烯基不饱和基团；R2是具有1至7个碳原子的（m+n）价烃基团，并且可选地含有醚基；通用公式（1）中的R1和R2与通用公式（2）中的R1和R2相同；在通用公式（2）中，R3是—NHC(═O)—；n和m各自代表一个或两个整数。
• New selective syntheses of (meth)acrylic monomers: Isocyanates, isocyanurates, carbamates and ureas derivatives
  作者：Christine Dubosclard-Gottardi、Paul Caubère、Yves Fort

  DOI：10.1016/0040-4020(95)00005-s

  日期：1995.2

  conveniently obtained by simple condensation of potassium cyanate with ω-halogeno-alkyl (meth)acrylates under appropriated phase transfer catalytic conditions. Depending on the reaction media and the temperature, these isocyanate derivatives may be isolated, trimerized to the corresponding isocyanurates or trapped in situ as carbamates or ureas compounds.

  ω-异氰酸根合烷基（甲基）丙烯酸酯的选择性形成可以通过在适当的相转移催化条件下简单地将氰酸钾与（甲基）丙烯酸ω-卤代烷基烷基酯缩合而获得。取决于反应介质和温度，可以将这些异氰酸酯衍生物分离，三聚为相应的异氰脲酸酯或就地捕获为氨基甲酸酯或脲化合物。
• STABILIZED ISOCYANATE GROUP-CONTAINING ETHYLENICALLY UNSATURATED COMPOUND
  申请人：Nishimura Norihito

  公开号：US20130317252A1

  公开（公告）日：2013-11-28

  An object of the present invention is to improve the stability of an ethylenically unsaturated compound having an isocyanate group in the molecule by preventing a polymerization, a multimerization reaction and a discoloration reaction of the ethylenically unsaturated compound. The present invention relates to a stabilizing composition for an isocyanate group-containing ethylenically unsaturated compound, comprising: an isocyanate group-containing ethylenically unsaturated compound (A) which comprises one or more isocyanate groups and one or more ethylenically unsaturated groups in the molecule; and a stabilizing agent (B) which is a compound in which at least one of the ethylenically unsaturated groups in the compound (A) is replaced with an alkyl halide group or an amino alkyl group which may have a substituent.

  本发明的一个目的是通过防止乙烯不饱和化合物中异氰酸酯基团的聚合、多聚反应和变色反应来提高其稳定性。本发明涉及一种用于含有异氰酸酯基团的乙烯不饱和化合物的稳定化组合物，包括：一种含有异氰酸酯基团和乙烯不饱和基团的乙烯不饱和化合物（A），其分子中包含一个或多个异氰酸酯基团和一个或多个乙烯不饱和基团；以及一种稳定剂（B），它是一种化合物，其中化合物（A）中的乙烯不饱和基团中的至少一个被取代为可能具有取代基的烷基卤素基团或氨基烷基基团。
• [EN] PROCESS FOR PRODUCING ISOCYANATES<br/>[FR] PROCÉDÉ DE PRODUCTION D'ISOCYANATES
  申请人：3M INNOVATIVE PROPERTIES CO

  公开号：WO2011130032A1

  公开（公告）日：2011-10-20

  The invention relates a process for producing isocyanates comprising the steps of a) providing an azolide and optionally a solvent, and b) adding an acid at a temperature below about 40C. The invention also relates to the isocyanate obtainable by such a process.

  该发明涉及一种生产异氰酸酯的方法，包括以下步骤：a)提供一种氮杂环酯和可选的溶剂，b)在约40摄氏度以下的温度下加入酸。该发明还涉及通过这种方法获得的异氰酸酯。
• Process for producing isocyanates
  申请人：3M Innovative Properties Company

  公开号：EP2377847A1

  公开（公告）日：2011-10-19

  The invention relates a process for producing isocyanates comprising the steps of a) providing an azolide and optionally a solvent, and b) adding an acid at a temperature below about 40°C. The invention also relates to the isocyanate obtainable by such a process.

  该发明涉及一种生产异氰酸酯的方法，包括以下步骤：a)提供一种环氧酮酯和可选的溶剂，b)在低于约40°C的温度下加入酸。该发明还涉及通过这种方法获得的异氰酸酯。