2-propenoic acid 3-isocyanatopropyl ester | 119096-71-8

• 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-propenoic acid 3-isocyanatopropyl ester
• 英文别名: acryloyloxypropyl isocyanate；acrylic acid 3-isocyanato-propyl ester；3-Isocyanatopropyl prop-2-enoate
• CAS: 119096-71-8
• 化学式: C₇H₉NO₃
• 分子量: 155.153
• InChiKey: ORTCGSWQDZPULK-UHFFFAOYSA-N

物化性质

• 沸点：
  230.1±23.0 °C(Predicted)
• 密度：
  1.03±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.43
• 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：

  (3-isocyanatopropyl) 3-chloropropionate 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 6.0h， 以66%的产率得到2-propenoic acid 3-isocyanatopropyl ester
  参考文献：
  名称：

  [EN] METHOD FOR PRODUCING (METH)ACRYLATE DERIVATIVE HAVING ISOCYANATE GROUP
  [FR] MÉTHODE DE PRODUCTION D'UN DÉRIVÉ (MÉTH)ACRYLIQUE POSSÉDANT UN GROUPE ISOCYANATE

  摘要：

  该发明旨在提供一种方法，通过在工业上有利且温和的条件下脱氯化3-氯丙酸酯衍生物，从而可以高产率地获得具有异氰酸酯基团的（甲基）丙烯酸酯衍生物，并且可以减少残留可水解氯的含量。一种制备具有异氰酸酯基团的（甲基）丙烯酸酯衍生物的方法包括在存在具有三级氮的碱性氮化合物的情况下，对具有异氰酸酯基团的3-氯丙酸酯衍生物进行脱氯化，所述碱性氮化合物的三级氮至少具有一个不同于芳香环基团的基团。

  公开号：

  WO2005092842A1

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。
• SILICON-CONTAINING COMPOUND, URETHANE RESIN, STRETCHABLE FILM, AND METHOD FOR FORMING THE SAME
  申请人：SHIN-ETSU CHEMICAL CO., LTD.

  公开号：US20190106528A1

  公开（公告）日：2019-04-11

  The present invention provides a silicon-containing compound shown by the following formula ( 1 ): wherein R 1 , R 2 , R 3 , R 4 , R 5 , and R 6 each independently represent a linear, branched, or cyclic alkyl group having 1 to 6 carbon atoms, a phenyl group, a 3,3,3-trifluoropropyl group, or a group shown by —(OSiR 7 R 8 ) n —OSiR 9 R 10 R 11 ; R 7 , R 8 , R 9 , R 10 , and R 11 have the same meanings as R 1 to R 6 ; X represents a linear or branched alkylene group having 3 to 7 carbon atoms optionally having an ether group; and “n” is an integer in the range of 0 to 100. This provides a stretchable film that hats excellent stretchability and strength, with the film surface having excellent repellency, and a method for forming the same; as well as a urethane resin used for the stretchable film; and a silicon-containing compound to be a material of the urethane resin.

  本发明提供了一种含硅化合物，其化学式如下（1）所示：其中R1、R2、R3、R4、R5和R6分别独立地表示具有1至6个碳原子的直链、支链或环烷基基团，苯基，3,3,3-三氟丙基基团，或者由—(OSiR7R8)n—OSiR9R10R11所示的基团；R7、R8、R9、R10和R11具有与R1至R6相同的含义；X表示具有3至7个碳原子的直链或支链烷基基团，可选地具有醚基；“n”是0至100范围内的整数。这提供了一种具有优异的延展性和强度的可拉伸薄膜，薄膜表面具有优异的防水性，以及形成该薄膜的方法；以及用于可拉伸薄膜的聚氨酯树脂；以及用于聚氨酯树脂的硅含量化合物。
• 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。
• RHODAMINE-BASED COLORING COMPOSITION
  申请人：WAKO PURE CHEMICAL INDUSTRIES, LTD.

  公开号：US20170145216A1

  公开（公告）日：2017-05-25

  A colored resin composition using a conventional rhodamine derivative has not provided heat resistance in a practical range. Therefore, it is an object of the present invention to provide a coloring composition having higher heat resistance as compared with the conventional coloring composition. The present invention relates to a compound represented by the following general formula (1), and a polymer having a monomer unit derived from the compound, and the like. (wherein R 1 to R 4 each independently represent a hydrogen atom, an alkyl group, and the like; R 7 represents a hydrogen atom or a methyl group; R 8 and R 9 each independently represent a hydrogen atom or an alkyl group; Y represents a nitrogen atom or a group represented by the following formula (1-1): A 1 represents an alkylene group which has at least one group selected from —O—, —OCO—, —COO—, —NHCO—, —CONH—, —NHCONH— and an arylene group in the chain, and the like; A 2 represents —NH— or —O—; An − represents an anion containing an aryl group having an electron-withdrawing substituent, and the like; n represents an integer of 0 to 3; R 8 and R 9 may form a cyclic structure of a 5 to 6 membered ring together with —N—(CH 2 ) n —Y— bonding thereto.)

  使用传统的罗丹明衍生物的有色树脂组合物在实际范围内未提供耐热性。因此，本发明的目的是提供一种比传统着色组合物具有更高耐热性的着色组合物。本发明涉及由以下通式（1）所代表的化合物，以及具有源自该化合物的单体单位的聚合物等。（其中R1至R4分别独立地代表氢原子、烷基基团等；R7代表氢原子或甲基基团；R8和R9分别独立地代表氢原子或烷基基团；Y代表氮原子或由以下式（1-1）所代表的基团：A1代表在链中至少具有一种从—O—，—OCO—，—COO—，—NHCO—，—CONH—，—NHCONH—和芳基基团中选择的基团的亚烷基基团等；A2代表—NH—或—O—；An−代表含有具有电子吸引取代基的芳基团的阴离子等；n表示0至3的整数；R8和R9可以与结合其的—N—（CH2）n—Y—共同形成5至6元环的环状结构。）