1,1-Dibutyl-3-(3-isocyanato-4-methylphenyl)urea | 1346549-28-7

• 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: 1,1-Dibutyl-3-(3-isocyanato-4-methylphenyl)urea
• CAS: 1346549-28-7
• 化学式: C₁₇H₂₅N₃O₂
• 分子量: 303.404
• InChiKey: NVQDANFSFHVOJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  22
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  61.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,1-Dibutyl-3-(3-isocyanato-4-methylphenyl)urea 在 吡啶 、 三乙胺 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 反应 24.0h， 生成 2-(3-(5-(3,3-dibutylureido)-2-methylphenyl)ureido)ethyl 2-bromopropanoate
  参考文献：
  名称：

  Quasi-Block Copolymers: Design, Synthesis, and Evidence for Their Formation in Solution and in the Melt

  摘要：

  A family of block copolymers featuring dynamically controlled compositions is presented. These copolymers, termed "quasi-block copolymers" (q-BCP), consist of a supramolecular polymer as one of the blocks. A conventional polymer end-capped with a functionality that is complementary to the supramolecular monomer is used to terminate the supramolecular block, giving rise to a block copolymer architecture. In this work we have utilized N,N'-2,4-bis((2-ethylhexyl)ureido)toluene (EHUT) as the supramolecular monomer and employed two types of modified 2,4-bis(ureido)toluene polystyrenes as the end-functionalized conventional polymer. Solution viscosity measurements with different solvent compositions and DSC analysis of poly(EHUT)/functionalized-PS blends provide compelling evidence for the formation of self-assembled q-BCP structures both in solution and in the melt. The qualitative role of chain stoppers on the molecular weight distribution is studied by simulations.

  DOI：

  10.1021/ma201395h
• 作为产物：
  描述：

  二正丁胺 、 甲苯-2,4-二异氰酸酯 以 氯仿 为溶剂， 以50%的产率得到1,1-Dibutyl-3-(3-isocyanato-4-methylphenyl)urea
  参考文献：
  名称：

  Quasi-Block Copolymers: Design, Synthesis, and Evidence for Their Formation in Solution and in the Melt

  摘要：

  A family of block copolymers featuring dynamically controlled compositions is presented. These copolymers, termed "quasi-block copolymers" (q-BCP), consist of a supramolecular polymer as one of the blocks. A conventional polymer end-capped with a functionality that is complementary to the supramolecular monomer is used to terminate the supramolecular block, giving rise to a block copolymer architecture. In this work we have utilized N,N'-2,4-bis((2-ethylhexyl)ureido)toluene (EHUT) as the supramolecular monomer and employed two types of modified 2,4-bis(ureido)toluene polystyrenes as the end-functionalized conventional polymer. Solution viscosity measurements with different solvent compositions and DSC analysis of poly(EHUT)/functionalized-PS blends provide compelling evidence for the formation of self-assembled q-BCP structures both in solution and in the melt. The qualitative role of chain stoppers on the molecular weight distribution is studied by simulations.

  DOI：

  10.1021/ma201395h

文献信息

• METHOD FOR PRODUCING AMIDATE COMPOUND, AND AMIDATE COMPOUND
  申请人：KOEI CHEMICAL COMPANY, LIMITED

  公开号：US20220048864A1

  公开（公告）日：2022-02-17

  A method for producing an amidate compound represented by Formula (4), comprising reacting an iminium salt represented by Formula (1) and an organic compound represented by Formula (3), wherein Formulas (1), (3), and (4) are as defined in the description.

  一种制备由式（4）表示的酰胺化合物的方法，包括反应由式（1）表示的亚胺盐和由式（3）表示的有机化合物，其中式（1）、式（3）和式（4）如描述中定义的那样。
• CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT
  申请人：KOEI CHEMICAL COMPANY, LIMITED

  公开号：US20200216600A1

  公开（公告）日：2020-07-09

  A blocking agent dissociation catalyst for blocked isocyanates comprising a nitrogen-containing compound represented by Formula (1a): wherein D is represented by Formula (2): wherein R 1 , R 2 , R 3 , R 4 , and a are as described in the specification.
• [EN] CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT<br/>[FR] CATALYSEUR POUR LA DISSOCIATION D'UN AGENT DE BLOCAGE POUR ISOCYANATES BLOQUÉS, ET COMPOSITION THERMODURCISSABLE CONTENANT LEDIT CATALYSEUR POUR LA DISSOCIATION D'UN AGENT DE BLOCAGE<br/>[JA] ブロックイソシアネート用ブロック剤解離触媒及び該ブロック剤解離触媒を含有する熱硬化性組成物
  申请人：KOEI CHEMICAL CO

  公开号：WO2019065953A1

  公开（公告）日：2019-04-04

  式（１ａ）で表される含窒素化合物を含有するブロックイソシアネート用ブロック剤解離触媒。 式（１ａ）：（式中、Ｄは式（２）：（式中、Ｒ１、Ｒ２、Ｒ３、Ｒ４及びａは明細書に記載のとおり。）
• [EN] METHOD FOR PRODUCING AMIDATE COMPOUND, AND AMIDATE COMPOUND<br/>[FR] PROCÉDÉ DE PRODUCTION D'UN COMPOSÉ D'AMIDATE, ET COMPOSÉ D'AMIDATE<br/>[JA] アミデート化合物の製造方法及びアミデート化合物
  申请人：KOEI CHEMICAL CO

  公开号：WO2020067431A1

  公开（公告）日：2020-04-02

  式（１）で表されるイミニウム塩と下記式（３）で表される有機化合物を反応させる式（４）で表されるアミデート化合物の製造方法（式（１）、式（３）及び式（４）は明細書に記載のとおり。）。