N-(2,2-Dimethyl-but-3-yl)-harnstoff | 38545-84-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: N-(2,2-Dimethyl-but-3-yl)-harnstoff
• 英文别名: 3,3-Dimethylbutan-2-ylurea
• CAS: 38545-84-5
• 化学式: C₇H₁₆N₂O
• 分子量: 144.217
• InChiKey: CANRFNSRGCDLCS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  (±)-3,3-二甲基-2-丁胺 、 硝基脲 以 水 为溶剂， 生成 N-(2,2-Dimethyl-but-3-yl)-harnstoff
  参考文献：
  名称：

  Relationship of the chemical structure of urea derivatives to antispasmodic activity

  摘要：

  DOI：

  10.1007/bf00771583

文献信息

• PIPERAZINE-PIPERIDINE COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS
  申请人：Long Daniel D.

  公开号：US20130287730A1

  公开（公告）日：2013-10-31

  The invention provides compounds of formula (I): wherein the variables are defined in the specification, or a pharmaceutically-acceptable salt thereof, that are inhibitors of replication of the hepatitis C virus. The invention also provides pharmaceutical compositions comprising such compounds, methods of using such compounds to treat hepatitis C viral infections, and processes and intermediates useful for preparing such compounds.

  这项发明提供了式(I)的化合物： 其中变量在规范中定义，或其药用盐，这些化合物是乙型肝炎病毒复制的抑制剂。该发明还提供了包括这些化合物的药物组合物，使用这些化合物治疗乙型肝炎病毒感染的方法，以及用于制备这些化合物的工艺和中间体。
• DYNAMIC UREA BONDS WITH FAST HYDROLYTIC KINETICS FOR POLYMERS
  申请人：THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS

  公开号：US20190092898A1

  公开（公告）日：2019-03-28

  The present invention relates to polymers having dynamic urea bonds and more specifically to polymers having hindered urea bonds (HUBs) with fast hydrolytic kinetics. These urea bonds are aryl-substituted, i.e. aromatic-substituted hindered urea bonds, that demonstrate pH independent hydrolytic kinetics, such that they consistently and rapidly hydrolyze in water from pH 2 to 11. The urea bond dissociation for these materials is generally such that k −1 >h −1 , which is two orders of magnitudes faster than for aliphatic hindered ureas. The present invention also relates to hydrolytically reversible or degradable linear, branched or network polymers incorporating these HUBs and to precursors for incorporation of these HUBs into these polymers. The technology can be applied to and integrated into a variety of polymers, such as polyureas, polyurethanes, polyesters, polyamides, polycarbonates, polyamines, and polysaccharides to make linear, branched, and cross-linked polymers. Polymers incorporating these HUBs can be used in a wide variety of applications including for example, environmentally compatible packaging materials and biomedical applications, such as drug delivery systems and tissue engineering. In other embodiments, the HUBs can be used in self-healing polymers.

  本发明涉及具有动态脲键的聚合物，更具体地涉及具有阻碍脲键（HUBs）并具有快速水解动力学的聚合物。这些脲键是芳基取代的，即芳基取代的阻碍脲键，表现出pH无关的水解动力学，因此它们在pH 2至11的水中始终快速水解。这些材料的脲键解离通常是k−1>h−1，比脂肪族阻碍脲酰快两个数量级。本发明还涉及水解可逆或可降解的线性、支化或网络聚合物，其中包含这些HUBs，并涉及用于将这些HUBs纳入这些聚合物中的前体。这项技术可以应用和整合到各种聚合物中，如聚脲，聚氨酯，聚酯，聚酰胺，聚碳酸酯，聚胺，聚糖等，以制备线性、支化和交联聚合物。包含这些HUBs的聚合物可以用于各种应用，例如，环境兼容的包装材料和生物医学应用，如药物传递系统和组织工程。在其他实施例中，这些HUBs可以用于自修复聚合物中。
• [EN] CHROMAN DERIVATIVES<br/>[FR] DERIVES DE CHROMANE
  申请人：NISSAN CHEMICAL INDUSTRIES, LTD.

  公开号：WO1998004542A1

  公开（公告）日：1998-02-05

  (EN) The present invention relates to chroman derivatives of formula (I): wherein R1 represents a hydrogen atom, a halogen atom, a C1-6 alkyl group, a C1-6 alkoxy group, a C3-6 alkoxymethyl group, etc.; R3 and R4 each independently represent a hydrogen atom, a C1-6 alkyl group, etc.; R5 represents a hydroxyl group or a C1-6 alkylcarbonyloxyl group or forms a bond together with R5; R6 represents a hydrogen atom or forms a bond together with R5; R7 and R8 each independently represent a hydrogen atom, a C1-6 alkyl group, a C3-6 cycloalkyl group, a phenyl group, etc.; n is 0 or an integer of 1, 2, 3, or 4; W represents a phenyl group, etc.; X represents C=O, CH2, SO2, etc.; Y represents NR17 (in which R17 represents a hydrogen atom, a C1-4 alkyl group, a phenyl group, etc.), etc.; Z does not exist or represents CH2 or NR18 (R18 represents a hydrogen atom, a C1-4 alkyl group, or a phenyl group, etc.) or their salts.(FR) La présente invention concerne des dérivés de chromane de la formule (I) ou leurs sels. Dans ladite formule (I), R1 représente un atome d'halogène, un goupe alkyle C1-6, un groupe alkoxy C1-6, un groupe alkoxyméthyle C3-6 etc.; R3 et R4 représentent chacun, indépendamment, un atome dhydrogène, un groupe alkyle C1-6, etc; R5 représente un groupe hydroxyle ou un groupe alkylcarbonyloxyle C1-6 ou forme une liaison avec R5; R6 représente un atome d'hydrogène ou forme une liaison avec R5; R7 et R8 représentent chacun, indépendamment, un atome d'hydrogène, un groupe alkyle C1-6, un groupe cycloalkyle C3-6, un groupe phényle, etc.; n est égal à 0 ou est un entier de 1, 2, 3, ou 4; W représente un groupe phényle etc.; X représente C=O, CH2, SO2, etc.; Y représente NR17 (R17 représentant un atome d'hydrogène, un groupe alkyle C1-4, un groupe phényle, etc.), etc.; Z n'existe pas ou représente CH2 ou NR18 (R18 représentant un atome d'hydrogène, un groupe alkyle C1-4, ou un groupe phényle, etc.).

  本发明涉及公式（I）的色甘醇衍生物，其中R1代表氢原子，卤原子，C1-6烷基，C1-6烷氧基，C3-6烷氧甲基等；R3和R4各自独立地代表氢原子，C1-6烷基等；R5代表羟基或C1-6烷基羰氧基基团，或与R5一起形成键；R6代表氢原子或与R5一起形成键；R7和R8各自独立地代表氢原子，C1-6烷基，C3-6环烷基，苯基等；n为0或1,2,3或4的整数；W代表苯基等；X代表C=O，CH2，SO2等；Y代表NR17（其中R17代表氢原子，C1-4烷基，苯基等）等；Z不存在或代表CH2或NR18（其中R18代表氢原子，C1-4烷基或苯基等）或它们的盐。
• INDAN DERIVATIVES
  申请人：Nissan Chemical Industries, Ltd.

  公开号：EP1085009A1

  公开（公告）日：2001-03-21

  Cardiac failure remedies containing as the active ingredient indan derivatives represented by general formula (I) or medicinally acceptable salts thereof, wherein R1 is hydrogen, nitro, cyano, amino, C1-C6 alkylcarbonylamino or the like; R2 and R3 are each independently C1-C6 alkyl or the like; R4 is hydroxyl or C1-C6 alkylcarbonyloxy, or alternatively R4 together with R5 represents a bond or oxygen; R5 is hydrogen, or alternatively R5 together with R4 represents a bond or oxygen; R6 is hydrogen, hydroxyl, NR7R8 or the like; n is an integer of 0 to 4; X is C=O, CH2, SO2 or NR16; when X is C=O, CH2 or SO2, Y is NR17, while when X is NR16, Y is C=O; when Y is NR17, Z is absent, while when Y is C=O, Z is NR18; and W is aryl, a lactam ring or the like.

  含有通式(I)代表的茚满衍生物或其药用盐作为活性成分的心力衰竭补救剂，其中R1是氢、硝基、氰基、氨基、C1-C6烷基羰基氨基或类似物；R2和R3各自独立地是C1-C6烷基或类似物；R4是羟基或C1-C6烷基羰基氧基，或者R4与R5一起代表键或氧；R5 是氢，或者 R5 与 R4 一起代表键或氧； R6 是氢、羟基、NR7R8 或类似物； n 是 0 至 4 的整数； X 是 C=O、CH2、SO2 或 NR16；当 X 是 C=O、CH2 或 SO2 时，Y 是 NR17，而当 X 是 NR16 时，Y 是 C=O；当 Y 是 NR17 时，Z 不存在，而当 Y 是 C=O 时，Z 是 NR18；以及 W 是芳基、内酰胺环或类似物。
• Cyclic dynamic polyureas for polymeric urea processing
  申请人：THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS

  公开号：US10428171B2

  公开（公告）日：2019-10-01

  The present invention relates to a one-component processing method and system for preparing polyurea materials. This method and system involves a polymerization process using cyclic oligomeric polyurea precursors. These cyclic oligomeric precursors have dynamic urea bonds such as hindered urea bonds (HUBs). These cyclic oligomeric precursors exhibit dynamic properties to reversibly dissociate in situ yielding isocyanate and amine components which polymerize to yield the polyureas, such as linear, branched or cross-linked polyureas. This method and system has advantages over conventional methods that utilize two-component systems. Such two-component systems require the segregation of the isocyanate and amine components to prevent premature or too rapid polymerization. The resulting polyureas are useful for a variety of applications including coatings.

  本发明涉及一种用于制备聚脲材料的单组分加工方法和系统。该方法和系统包括使用环状低聚物聚脲前体的聚合工艺。这些环状低聚物前体具有动态脲键，如受阻脲键（HUB）。这些环状低聚物前体表现出动态特性，可在原位可逆解离，生成异氰酸酯和胺成分，这些成分聚合生成聚脲，如线型、支链型或交联型聚脲。与使用双组分体系的传统方法相比，这种方法和体系具有优势。这种双组分系统需要分离异氰酸酯和胺组分，以防止过早或过快聚合。由此产生的聚脲可用于多种用途，包括涂料。