N-n-propyl-N'-4-tolylcarbodiimide | 155253-00-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-n-propyl-N'-4-tolylcarbodiimide
• CAS: 155253-00-2
• 化学式: C₁₁H₁₄N₂
• 分子量: 174.246
• InChiKey: LIWVXGQZYOOVAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  24.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-n-propyl-N'-4-tolylcarbodiimide 反应 72.0h， 生成 1-(4-甲基苯基)-3-丙基脲
  参考文献：
  名称：

  Froeyen, Paul, Phosphorus, Sulfur and Silicon and the Related Elements, 1993, vol. 81, # 1-4, p. 37 - 48

  摘要：

  DOI：
• 作为产物：
  描述：

  N-hydroxy-4-methylbenzenecarboximidoyl chloride 在 sodium periodate 、 三乙胺 、 p-methylselenobenzamide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.52h， 生成 N-n-propyl-N'-4-tolylcarbodiimide
  参考文献：
  名称：

  Preparation of Isoselenocyanate and Synthesis of Carbodiimide by Oxidation of Selenourea

  摘要：

  DOI：

  10.1021/jo990096j

文献信息

• BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR
  申请人：WAKO PURE CHEMICAL INDUSTRIES, LTD.

  公开号：US20160340374A1

  公开（公告）日：2016-11-24

  An object of the present invention is to provide a compound which is capable of attaining a composition having high storage stability without reacting with a base-reactive compound, even in the case of storage for a long period of time in a mixed state with the base-reactive compound, such as an epoxy-based compound, as well as capable of generating a strong base (guanidines, biguanides, phosphazenes or phosphoniums) by irradiation of light (active energy rays) or heating; a base generator comprising the compound; and a base-reactive composition comprising the base generator and the base-reactive compound. The present invention relates to the compound represented by the general formula (A); the base generator comprising the compound; and the base-reactive composition comprising the base generator and the base-reactive compound. (wherein R 1 represents an alkyl group; an arylalkynyl group which may be substituted with a halogen atom, an alkyl group, an alkoxy group, or an alkylthio group; an alkenyl group; a 2-furylethynyl group; a 2-thiophenylethynyl group; or a 2,6-dithianyl group; R 2 to R 4 each independently represent an alkyl group; an arylalkynyl group which may be substituted with a halogen atom, an alkyl group, an alkoxy group, or an alkylthio group; the aryl group which may be substituted with a halogen atom, an alkyl group, an alkoxy group, or an alkylthio group; a furanyl group; a thienyl group; or an N-alkyl-substituted pyrrolyl group; Z + represents an ammonium cation having a guanidinium group, a biguanidium group or a phosphazenium group, or a phosphonium cation.)

  本发明的目的是提供一种化合物，能够在与碱反应性化合物混合状态长时间存储的情况下，仍能获得具有高储存稳定性的组合物，而不与碱反应性化合物发生反应，同时还能通过光照（活性能量射线）或加热产生强碱（胍胺、双胍胺、磷氮烷或磷銨）；包括该化合物的碱发生器；以及包括该碱发生器和碱反应性化合物的碱反应性组合物。本发明涉及由通式（A）表示的化合物；包括该化合物的碱发生器；以及包括该碱发生器和碱反应性化合物的碱反应性组合物。（其中R1代表烷基；可能被卤素原子、烷基、烷氧基或烷硫基取代的芳基炔基；烯基；2-呋喃基炔基；2-噻吩基炔基；或2,6-二硫基基；R2到R4各自独立地代表烷基；可能被卤素原子、烷基、烷氧基或烷硫基取代的芳基炔基；可能被卤素原子、烷基、烷氧基或烷硫基取代的芳基；呋喃基；噻吩基；或N-烷基取代的吡咯基；Z+代表具有胍胺基团、双胍胺基团或磷氮烷基团的铵阳离子，或磷銨阳离子。）
• ACID-RESISTANT BASE AND/OR RADICAL GENERATOR, AND CURABLE RESIN COMPOSITION CONTAINING SAID BASE AND/OR RADICAL GENERATOR
  申请人：WAKO PURE CHEMICAL INDUSTRIES, LTD.

  公开号：US20190002403A1

  公开（公告）日：2019-01-03

  The present invention relates to a compound represented by the general formula (A), a base- and/or radical-generating agent comprising the compound, and so on. In the formula, four pieces of R 1 each independently represents a hydrogen atom or a fluorine atom; four pieces of R 2 each independently represent a fluorine atom or a trifluoromethyl group; R 3 , R 6 , R 7 and R 10 each independently represent a hydrogen atom or an alkyl group having 1 to 12 carbon atoms; R 4 and R 5 each independently represent a hydrogen atom or an alkyl group having 1 to 12 carbon atoms, or R 4 and R 5 are bonded to each other to represent an alkylene group having 2 to 4 carbon atoms; and R 8 and R 9 each independently represent a hydrogen atom, an alkyl group having 1 to 12 carbon atoms, or an aryl group having 6 to 14 carbon atoms and optionally having a substituent selected from the group consisting of an alkyl group having 1 to 6 carbon atoms, an alkoxy group having 1 to 6 carbon atoms, an alkylthio group having 1 to 6 carbon atoms, a dialkylamino group having 2 to 12 carbon atoms, a halogen atom, and a nitro group, or R 8 and R 9 are bonded to each other to represent an alkylene group having 2 to 4 carbon atoms; provided that two or three of the eight groups R 3 to R 10 are each a hydrogen atom, and, in a case where two of the eight groups are each a hydrogen atom, then three to six of the remaining groups are each an alkyl group having 1 to 12 carbon atoms, and, in a case where three of the eight groups are each a hydrogen atom, then four or five of the remaining groups are each an alkyl group having 1 to 12 carbon atoms.

  本发明涉及一种由通式（A）表示的化合物，包括该化合物的生成碱基和/或基团产生剂等。在该式中，四个R1分别独立表示氢原子或氟原子；四个R2分别独立表示氟原子或三氟甲基基团；R3、R6、R7和R10分别独立表示氢原子或具有1至12个碳原子的烷基基团；R4和R5分别独立表示氢原子或具有1至12个碳原子的烷基基团，或者R4和R5相互连接表示具有2至4个碳原子的亚烷基基团；R8和R9分别独立表示氢原子、具有1至12个碳原子的烷基基团或具有6至14个碳原子且可选地具有选自包括具有1至6个碳原子的烷基基团、具有1至6个碳原子的烷氧基团、具有1至6个碳原子的烷硫基团、具有2至12个碳原子的二烷基氨基团、卤素原子和硝基基团的取代基的芳基团，或者R8和R9相互连接表示具有2至4个碳原子的亚烷基基团；前提是八个基团R3至R10中的两个或三个分别是氢原子，并且在其中两个基团分别是氢原子的情况下，其余基团中的三到六个分别是具有1至12个碳原子的烷基基团，而在其中三个基团分别是氢原子的情况下，其余基团中的四个或五个分别是具有1至12个碳原子的烷基基团。
• Borate-based base generator, and base-reactive composition comprising such base generator
  申请人：FUJIFILM Wako Pure Chemical Corporation

  公开号：US10100070B2

  公开（公告）日：2018-10-16

  A compound capable of providing a composition having high storage stability without reacting with a base-reactive compound, even when stored in a mixed state with the base-reactive compound, as well as capable of generating a strong base by irradiation of light (active energy rays) or heating. A base generator comprises the compound and a base-reactive composition comprises the base generator and the base-reactive compound. The compound is represented by the general formula (A).

  一种化合物，能够提供一种具有高储存稳定性的组合物，即使在与碱反应化合物混合储存的状态下，也不会与碱反应化合物发生反应，并且能够通过光（活性能量射线）照射或加热生成强碱。碱发生器由该化合物组成，碱反应组合物由碱发生器和碱反应化合物组成。该化合物由通式 (A) 表示。
• Acid-resistant base and/or radical generator, and curable resin composition containing said base and/or radical generator
  申请人：FUJIFILM Wako Pure Chemical Corporation

  公开号：US10428015B2

  公开（公告）日：2019-10-01

  The present invention relates to a compound represented by the general formula (A), a base- and/or radical-generating agent comprising the compound, and so on. In the formula, four pieces of R1 each independently represents a hydrogen atom or a fluorine atom; four pieces of R2 each independently represent a fluorine atom or a trifluoromethyl group; R3, R6, R7 and R10 each independently represent a hydrogen atom or an alkyl group having 1 to 12 carbon atoms; R4 and R5 each independently represent a hydrogen atom or an alkyl group having 1 to 12 carbon atoms, or R4 and R5 are bonded to each other to represent an alkylene group having 2 to 4 carbon atoms; and R8 and R9 each independently represent a hydrogen atom, an alkyl group having 1 to 12 carbon atoms, or an aryl group having 6 to 14 carbon atoms and optionally having a substituent selected from the group consisting of an alkyl group having 1 to 6 carbon atoms, an alkoxy group having 1 to 6 carbon atoms, an alkylthio group having 1 to 6 carbon atoms, a dialkylamino group having 2 to 12 carbon atoms, a halogen atom, and a nitro group, or R8 and R9 are bonded to each other to represent an alkylene group having 2 to 4 carbon atoms; provided that two or three of the eight groups R3 to R10 are each a hydrogen atom, and, in a case where two of the eight groups are each a hydrogen atom, then three to six of the remaining groups are each an alkyl group having 1 to 12 carbon atoms, and, in a case where three of the eight groups are each a hydrogen atom, then four or five of the remaining groups are each an alkyl group having 1 to 12 carbon atoms.

  本发明涉及通式（A）代表的化合物、包含该化合物的碱和/或自由基生成剂等。 式中，R1 的四个部分各自独立地代表氢原子或氟原子；R2 的四个部分各自独立地代表氟原子或三氟甲基；R3、R6、R7 和 R10 各自独立地代表氢原子或具有 1 至 12 个碳原子的烷基；R4 和 R5 各自独立地代表氢原子或具有 1 至 12 个碳原子的烷基，或 R4 和 R5 相互键合代表具有 2 至 4 个碳原子的亚烷基；和 R8 和 R9 各自独立地代表一个氢原子、一个具有 1 至 12 个碳原子的烷基或一个具有 6 至 14 个碳原子的芳基，并可选择具有一个取代基，该取代基可选自具有 1 至 6 个碳原子的烷基、具有 1 至 6 个碳原子的烷氧基、具有 1 至 6 个碳原子的烷硫基、具有 2 至 12 个碳原子的二烷基氨基、卤素原子和硝基组成的组，或 R8 和 R9 相互键合代表一个具有 2 至 4 个碳原子的亚烷基；条件是八个基团 R3 至 R10 中的两个或三个基团各自为氢原子，在八个基团中的两个基团各自为氢原子的情况下，其余基团中的三至六个基团各自为具有 1 至 12 个碳原子的烷基，在八个基团中的三个基团各自为氢原子的情况下，其余基团中的四个或五个基团各自为具有 1 至 12 个碳原子的烷基。