乙基(4-甲基苯基)碳二亚胺 | 84662-49-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 乙基(4-甲基苯基)碳二亚胺
• 英文名称: N-ethyl-N'-(4-methylphenyl)carbodiimide
• 英文别名: Ethyl(4-methylphenyl)carbodiimid
• CAS: 84662-49-7
• 化学式: C₁₀H₁₂N₂
• 分子量: 160.219
• InChiKey: DWZFAVUQCMZZMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 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：

  乙基(4-甲基苯基)碳二亚胺 在 水 作用下， 生成 1-乙基-3-(4-甲基苯基)脲
  参考文献：
  名称：

  Scherowsky, Guenther; Pickardt, Joachim, Chemische Berichte, 1983, vol. 116, # 1, p. 186 - 196

  摘要：

  DOI：
• 作为产物：
  描述：

  1-乙基-3-(4-甲基苯基)脲 在 三乙胺 、 二溴三苯基膦 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 乙基(4-甲基苯基)碳二亚胺
  参考文献：
  名称：

  Highly Enantioselective Synthesis of 1,3-Oxazolidin-2-imine Derivatives by Asymmetric Cycloaddition Reactions of Vinyloxiranes with Unsymmetrical Carbodiimides Catalyzed by Palladium(0) Complexes

  摘要：

  4-Vinyl-1,3-oxazoilidin-2-imine derivatives have been synthesized by cycloaddition reactions of 2-vinyloxiranes with unsymmetrical carbodiimides catalyzed by palladium(0) complexes-in excellent total isolated yields. After reaction two compounds were always formed, one of which was isolated as the major product. A bulky alkyl group on one of the nitrogen atoms of the carbodiimide enhanced the product ratio in favor of the N-aryl-3-alkyl-1,3-oxazolidin-2-imine. Highly enantioselective cycloadducts (up to >99% ee) were formed by using TolBINAP as the chiral phosphine ligand, in THF at ambient temperatures. The enantiodetermination is believed to be dependent on nucleophilic attack of the anionic nitrogen of the carbodiimide due to the steric interaction of the carbodiimide substituents with the chiral phosphine ligand.

  DOI：

  10.1021/jo9804341

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。
• One‐Pot Synthesis of 8‐Azaguanines by Transition Metal‐Free Cascade Cyclization of Carbodiimides with Ethyl Diazoacetate
  作者：Shilong Wang、Xingchen Zhao、Jixin Liu、Ziling Zhao、Haoran Yu、Jiaxun Li、Jiazhu Li、Jinchun Chen、Zhen Zhang

  DOI：10.1002/ejoc.202101559

  日期：2022.3.29

  A concise and efficient method to construct 8-azaguanines derivatives by the rapid assembly of EDA and carbodiimides via a cascade cyclization process has been developed. A variety of diversely substituted 8-azaguanines derivatives were prepared with excellent regioselectivity and good yields utilizing two same or different carbodiimides.

  已经开发了一种通过级联环化过程快速组装 EDA 和碳二亚胺来构建 8-氮鸟嘌呤衍生物的简洁有效的方法。利用两种相同或不同的碳二亚胺制备了多种不同取代的 8-氮鸟嘌呤衍生物，具有优异的区域选择性和良好的收率。
• 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。