1,3-bis-(2-aza-1,1,9-trimethyl-3,8-dioxo-4,7-dioxa-9-decen-1-yl)-benzene | 178884-94-1

• 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: 1,3-bis-(2-aza-1,1,9-trimethyl-3,8-dioxo-4,7-dioxa-9-decen-1-yl)-benzene
• 英文别名: 2-[2-[3-[2-[2-(2-Methylprop-2-enoyloxy)ethoxycarbonylamino]propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]ethyl 2-methylprop-2-enoate
• CAS: 178884-94-1
• 化学式: C₂₆H₃₆N₂O₈
• 分子量: 504.58
• InChiKey: RSKRODBVYNDDOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  36
• 可旋转键数：
  16
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  129
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  hydroquinone monomethyl-ether 、 iso-cyanate 、 1,3-双(1-异氰酸根-1-甲基乙基)苯 生成 1,3-bis-(2-aza-1,1,9-trimethyl-3,8-dioxo-4,7-dioxa-9-decen-1-yl)-benzene
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• URETHANE DI(METH)ACRYLATE DERIVATIVES OF 1,3-BIS(1-ISOCYANATO-1-METHYLETHYL)BENZENE
  申请人：——

  公开号：US20020082315A1

  公开（公告）日：2002-06-27

  The invention relates to urethane di(meth)acrylate derivatives of 1-3-bis(1-isocyanato-1-methylethyl)benzene according to Formula (I) 1 in which R is hydrogen or a straight-chained C 1 -C 8 alkyl radical; X and Y independently of each other stand for 2 R 1 being a substituted or unsubstituted C 6 - to C 12 - aryl or C 7 - to C 16 - alkyl aryl radical; R 2 hydrogen, a C 1 - to C 5 - alkyl or a substituted or unsubstituted C 6 - to C 12 - aryl radical; R 3 hydrogen or a methyl radical; R 4 a C 1 - to C 8 - alkylene radical which can be broken by oxygen atoms, or a phenylene radical; R hydrogen or a methyl radical; R 6 a substituted or unsubstituted C 6 - to C 12 -aryl or C 7 - to C 16 - alkyl aryl radical; Z being —CO— or a chemical bond and W standing for oxygen, sulphur or NR 7 , R 7 being hydrogen or a straight-chained C 1 - to C 6 - alkyl radical. The substances are suitable in particular for the production of dental materials.

  该发明涉及根据以下公式(I)的1-3-双(1-异氰酸酯基-1-甲基乙基)苯的脲基二(甲)丙烯酸酯衍生物，其中R是氢或直链C1-C8烷基基团；X和Y分别代表被取代或未取代的C6至C12芳基或C7至C16烷基芳基基团；R2是氢、C1至C5烷基或被取代或未取代的C6至C12芳基基团；R3是氢或甲基基团；R4是可以被氧原子打断的C1至C8烷基基团，或是苯基基团；R是氢或甲基基团；R6是被取代或未取代的C6至C12芳基或C7至C16烷基芳基基团；Z是—CO—或化学键，W代表氧、硫或NR7，R7是氢或直链C1至C6烷基基团。这些物质特别适用于牙科材料的生产。
• POLYMERIZABLE MONOMER FOR DENTAL MATERIALS, COMPOSITION, ADHESIVE DENTAL MATERIAL, AND KIT
  申请人：Mitsui Chemicals, Inc.

  公开号：EP3278787A1

  公开（公告）日：2018-02-07

  The present invention provides polymerizable monomers represented by the following general formula (1) that are useful as dental materials. In the general formula (1), Ra is a divalent C6-9 aromatic hydrocarbon group or a divalent C6-9 optionally bridged cyclic hydrocarbon group, R1 and R2 are each a hydrogen atom or a C1-3 alkyl group, R3, R4, R5 and R6 are each a hydrogen atom or a hydrocarbon group, R7 and R8 are each a hydrogen atom or a methyl group, m and n are each independently 0 to 4, and Rb and Rc are each independently a C2-6 linear alkylene or C2-6 linear oxyalkylene group optionally substituted with a C1-3 alkyl group or a (meth)acryloyloxymethylene group in place of a hydrogen atom.

  本发明提供了以下通式（1）所代表的可聚合单体，可用作牙科材料。 在通式（1）中，Ra 是二价 C6-9 芳烃基团或二价 C6-9 任选桥接环状烃基团，R1 和 R2 各为氢原子或 C1-3 烷基，R3、R4、R5 和 R6 各为氢原子或烃基、R7和R8各自为氢原子或甲基，m和n各自独立地为0至4，Rb和Rc各自独立地为C2-6直链亚烷基或C2-6直链氧亚烷基，可选地被C1-3烷基或（甲基）丙烯酰氧基亚甲基取代氢原子。
• ADHESIVE MONOMER FOR DENTAL MATERIAL
  申请人：Mitsui Chemicals, Inc.

  公开号：EP3603606A1

  公开（公告）日：2020-02-05

  An object of the present invention is to provide adhesive monomers for dental materials having the function of enhancing adhesive strength to the tooth in dental treatment, and adhesive monomers for dental materials imparting high mechanical strength to cured products. The present invention provides adhesive monomers for dental materials including compounds represented by the general formula (1) below, in which the core (X) below and the terminal group (Y1) below are bonded to each other directly or via the linking group (Z) below: X(Y1)n1a(Z-Y1)n1b(1) (in the general formula (1), n1a represents the number of terminal groups (Y1) directly bonded to the core (X), n1b represents the number of terminal groups (Y1) bonded to the core (X) via the linking group (Z), and the sum of n1a and n1b is equal to the valence of the core (X) ; the core (X) is a C1-200 polyvalent organic group having a valence of not less than 3 containing an oxygen atom or a nitrogen atom in which an atom bonded to the terminal group (Y1) or the linking group (Z) is the oxygen atom or the nitrogen atom; the terminal group (Y1) is a specific phosphorus-containing group, a specific (meth)acryloyl group-containing group (Y2), a (meth) acryloyl group, a C1-20 hydrocarbon group or a hydrogen atom, and a plurality of terminal groups (Y1) may be the same as or different from each other, with the proviso that among all the terminal groups (Y1) in the compound represented by the general formula (1), one or more terminal groups are specific phosphorus-containing groups, and one or more terminal groups are (meth)acryloyl group-containing groups (Y2); and the linking group (Z) is a specific divalent group, and when the compound contains a plurality of linking groups (Z), the linking groups (Z) may be the same as or different from each other).

  本发明的目的是提供牙科材料用粘合剂单体，其功能是在牙科治疗中增强与牙齿的粘合强度，并提供使固化产品具有高机械强度的牙科材料用粘合剂单体。本发明提供的牙科材料用粘合剂单体包括以下通式（1）所代表的化合物，其中以下核心（X）和以下末端基团（Y1）直接或通过以下连接基团（Z）相互粘合：X(Y1)n1a(Z-Y1)n1b(1)（通式(1)中，n1a 表示直接与核心（X）键合的末端基团（Y1）的数目，n1b 表示通过连接基团（Z）与核心（X）键合的末端基团（Y1）的数目，n1a 和 n1b 之和等于核心（X）的价；核心 (X) 是 C1-200 多价有机基团，其化合价不低于 3，含有一个氧原子或一个氮原子，其中与末端基团 (Y1) 或连接基团 (Z) 键合的原子是氧原子或氮原子；末端基团(Y1)是特定的含磷基团、特定的含(甲基)丙烯酰基团(Y2)、(甲基)丙烯酰基团、C1-20 烃基团或氢原子，多个末端基团(Y1)可以彼此相同或不同、但通式（1）代表的化合物中的所有末端基团（Y1）中，一个或多个末端基团是特定的含磷基团，一个或多个末端基团是含(甲基)丙烯酰基团的基团（Y2）；连接基团（Z）是特定的二价基团，当化合物含有多个连接基团（Z）时，连接基团（Z）可以相同或不同）。
• Dental polymerizable monomers, compositions, adhesive dental materials and kits
  申请人：MITSUI CHEMICALS, INC.

  公开号：US10470980B2

  公开（公告）日：2019-11-12

  The present invention provides polymerizable monomers represented by the following general formula (1) that are useful as dental materials. In the general formula (1), Ra is a divalent C6-9 aromatic hydrocarbon group or a divalent C6-9 optionally bridged cyclic hydrocarbon group, R1 and R2 are each a hydrogen atom or a C1-3 alkyl group, R3, R4, R5 and R6 are each a hydrogen atom or a hydrocarbon group, R7 and R8 are each a hydrogen atom or a methyl group, m and n are each independently 0 to 4, and Rb and Rc are each independently a C2-6 linear alkylene or C2-6 linear oxyalkylene group optionally substituted with a C1-3 alkyl group or a (meth)acryloyloxymethylene group in place of a hydrogen atom.

  本发明提供了以下通式（1）所代表的可聚合单体，可用作牙科材料。 在通式（1）中，Ra 是二价 C6-9 芳烃基团或二价 C6-9 任选桥接环状烃基团，R1 和 R2 各为氢原子或 C1-3 烷基，R3、R4、R5 和 R6 各为氢原子或烃基、R7和R8各自为氢原子或甲基，m和n各自独立地为0至4，Rb和Rc各自独立地为C2-6直链亚烷基或C2-6直链氧亚烷基，可选地被C1-3烷基或（甲基）丙烯酰氧基亚甲基取代氢原子。
• Adhesive monomers for dental materials
  申请人：Mitsui Chemicals, Inc.

  公开号：US11311462B2

  公开（公告）日：2022-04-26

  Provided are adhesive monomers for dental materials including compounds represented by the general formula (1) below, in which the core (X) and the terminal group (Y1) are bonded to each other directly or via the linking group (Z): X(Y1)n1a(Z—Y1)n1b(1) wherein n1a represents the number of terminal groups (Y1) directly bonded to the core (X), n1b represents the number of terminal groups (Y1) bonded to the core (X) via the linking group (Z), and the sum of n1a and n1b is equal to the valence of the core (X); the core (X), the linking group (Z) and the terminal group (Y1) are further defined. The adhesive monomers can enhance adhesive strength to the tooth in dental treatment, and impart high mechanical strength to cured products.

  本发明提供了一种用于牙科材料的粘结单体，包括如下通式(1)表示的化合物，其中核心(X)和末端基团(Y1)直接或通过连接基团(Z)连接：X(Y1)n1a(Z—Y1)n1b(1)，其中n1a表示直接连接到核心(X)的末端基团(Y1)的数量，n1b表示通过连接基团(Z)连接到核心(X)的末端基团(Y1)的数量，且n1a和n1b的和等于核心(X)的价数；进一步定义了核心(X)、连接基团(Z)和末端基团(Y1)。所述粘结单体能够提高牙科治疗中对牙齿的粘结强度，并赋予固化产物高机械强度。