2-Propenoic acid, 2-methyl-, cyclohexylmethyl ester | 16868-16-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-Propenoic acid, 2-methyl-, cyclohexylmethyl ester
• 英文别名: cyclohexylmethyl 2-methylprop-2-enoate
• CAS: 16868-16-9
• 化学式: C₁₂H₁₃N₂O₃Pol
• 分子量: 182.26
• InChiKey: UUZLJPRHSPEASP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Ethyl 2-[(2-nitrophenyl)sulfonylamino]propanoate 、 2-Propenoic acid, 2-methyl-, cyclohexylmethyl ester 、 在 乙醇 、 肼 作用下， 反应 18.0h， 生成 N-[4-({3-bromo-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-4-yl}oxy)-3-fluorophenyl]acetamide 、 Lithium;3-(4-chlorobenzoyl)-4,4,4-trideuterio-1-ethoxy-1-oxobut-2-en-2-olate 、 Lithium;3-(4-chlorobenzoyl)-4,4,4-trideuterio-1-ethoxy-1-oxobut-2-en-2-olate
  参考文献：
  名称：

  Recognition of oligiosaccaride molecular targets by polycationic small molecule inhibitors and treatment of immunological disorders and infectious diseases

  摘要：

  小分子多阳离子试剂被用来通过结合寡糖基生物分子来调节或中断生物过程。抑制一氧化氮、TNFα或其他免疫调节剂的化合物被提供，并且对治疗免疫性疾病和传染性疾病有用。

  公开号：

  US07199267B1
• 作为产物：
  描述：

  邻苯二甲酸亚胺 、 [(1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonic acid (1R)-3H-spiro[2-benzofuran-1,3'-pyrrolidin]-3-one 、 Lithium;3-(4-chlorobenzoyl)-4,4,4-trideuterio-1-ethoxy-1-oxobut-2-en-2-olate 、 Lithium;3-(4-chlorobenzoyl)-4,4,4-trideuterio-1-ethoxy-1-oxobut-2-en-2-olate 在 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 Ethyl 2-[(2-nitrophenyl)sulfonylamino]propanoate 、 2-Propenoic acid, 2-methyl-, cyclohexylmethyl ester 、
  参考文献：
  名称：

  Recognition of oligiosaccaride molecular targets by polycationic small molecule inhibitors and treatment of immunological disorders and infectious diseases

  摘要：

  小分子多阳离子试剂被用来通过结合寡糖基生物分子来调节或中断生物过程。抑制一氧化氮、TNFα或其他免疫调节剂的化合物被提供，并且对治疗免疫性疾病和传染性疾病有用。

  公开号：

  US07199267B1

文献信息

• COMPOSITION CONTAINING VINYL-GROUP-CONTAINING COMPOUND
  申请人：TOKYO OHKA KOGYO CO., LTD.

  公开号：US20160046552A1

  公开（公告）日：2016-02-18

  A composition containing a novel vinyl-group-containing compound. This composition contains a vinyl-group-containing compound represented by general formula (1). In the formula: W 1 and W 2 represent a group represented by general formula (2) (where a ring (Z) is an aromatic hydrocarbon ring, X is a single bond or —S—, R 1 is a single bond or a C1-4 alkylene group, R 2 is a specific substituent group such as a monovalent hydrocarbon, and m is an integer equal to 0 or higher), a group represented by general formula (4) (where the ring (Z), X, R 1 , R 2 , and m are as previously stated), a hydroxyl group, or a (meth)acryloyloxy group; rings (Y 1 , Y 2 ) are aromatic hydrocarbon rings; R represents a single bond or a specific divalent group; R 3a and R 3b represent a cyano group, a halogen atom, or a monovalent hydrocarbon group; and n1 and n2 are integers of 0-4.

  这个组合物包含一种含有新颖乙烯基团的化合物。该组合物包含一个由通式（1）表示的含有乙烯基团的化合物。在该式中：W1和W2代表由通式（2）表示的一个基团（其中环（Z）是芳香烃环，X是一个单键或—S—，R1是一个单键或C1-4烷基基团，R2是特定的取代基团，如一价碳氢化合物，m是大于或等于0的整数），一个由通式（4）表示的基团（其中环（Z）、X、R1、R2和m如前述），一个羟基，或一个（甲基）丙烯酰氧基团；环（Y1、Y2）是芳香烃环；R代表一个单键或一个特定的二价基团；R3a和R3b代表氰基、卤素原子或一价碳氢基团；n1和n2是0-4的整数。
• VINYL-GROUP-CONTAINING FLUORENE COMPOUND
  申请人：DAICEL CORPORATION

  公开号：US20160046551A1

  公开（公告）日：2016-02-18

  A novel vinyl-group-containing fluorene compound and a method for producing the same, a polymerizable monomer and cross-linking agent including this compound, a leaving-group-containing fluorene compound, a monovinyl-group-containing fluorene compound, and methods for producing the same. This vinyl-group-containing fluorene compound is represented by formula (1). In the formula, W 1 and W 2 represent a group represented by formula (2), a group represented by formula (4), a hydroxyl group, or a (meth)acryloyloxy group, R 3a and R 3b represent a cyano group, a halogen atom, or a monovalent hydrocarbon, and n1 and n2 are integers of 0-4. In formulas (2) and (4), a ring (Z) is an aromatic hydrocarbon ring, X is a single bond or a group represented by —S—, R 1 is a single bond or a C1-4 alkylene group, R 2 is a specific substituent group such as a monovalent hydrocarbon, and m is an integer of 0 or greater.

  一种含有乙烯基的萘化合物及其制备方法，包括该化合物的可聚合单体和交联剂，含有离去基的萘化合物，含有单乙烯基的萘化合物，以及其制备方法。该含有乙烯基的萘化合物由式（1）表示。在该式中，W1和W2代表由式（2）表示的基团，由式（4）表示的基团，羟基，或（甲基）丙烯氧基，R3a和R3b代表氰基，卤素原子，或一价碳氢化合物，n1和n2为0-4的整数。在式（2）和（4）中，环（Z）是芳香烃环，X是单键或由—S—表示的基团，R1是单键或C1-4烷基基团，R2是特定取代基团，如一价碳氢化合物，m为0或更大的整数。
• PHOTOSENSITIVE COMPOSITION AND COMPOUND
  申请人：TOKYO OHKA KOGYO CO., LTD.

  公开号：US20170160636A1

  公开（公告）日：2017-06-08

  The purpose of the present invention is to provide a photosensitive composition having excellent sensitivity, an insulating film formed using said photosensitive composition, a color filter formed using said photosensitive composition, a display device provided with said insulating film or said color filter, and a compound suitable for incorporation as a photopolymerization initiator into said photosensitive composition. This photosensitive composition includes (A) a photopolymerizable compound and (B) a photopolymerization initiator, wherein the photopolymerization initiator (B) contains a compound represented by formula (1). In formula (1), R 1 is a hydrogen atom, a nitro group, or a monovalent organic group; R 2 and R 3 are each an optionally substituted linear alkyl group, an optionally substituted cyclic organic group, or a hydrogen atom, and R 2 and R 3 may be bonded to one another to form a ring; R 4 is a monovalent organic group; R 5 is a hydrogen atom, an optionally substituted C1-11 alkyl group, or an optionally substituted aryl group; n is an integer from 0 to 4; and m is 0 or 1.

  本发明的目的是提供一种具有优异灵敏度的感光组合物，以及使用该感光组合物形成的绝缘膜、使用该感光组合物形成的彩色滤光片、配备该绝缘膜或彩色滤光片的显示装置，以及适合作为光聚合引发剂并纳入该感光组合物中的化合物。该感光组合物包括（A）光聚合化合物和（B）光聚合引发剂，其中光聚合引发剂（B）含有由式（1）表示的化合物。在式（1）中，R1是氢原子、硝基或一价有机基；R2和R3分别是可选择取代的直链烷基、可选择取代的环状有机基或氢原子，且R2和R3可以结合在一起形成环；R4是一价有机基；R5是氢原子、可选择取代的C1-11烷基或可选择取代的芳基；n是0到4之间的整数；m为0或1。
• SULFONIUM SALT, PHOTOACID GENERATOR, AND PHOTOSENSITIVE COMPOSITION
  申请人：TOKYO OHKA KOGYO CO., LTD.

  公开号：US20170305848A1

  公开（公告）日：2017-10-26

  A novel sulfonium salt having high sensitivity with respect to active energy rays, a photoacid generator including the sulfonium salt, and a photosensitive composition containing the photoacid generator. The sulfonium salt is represented by formula (a1). In the formula, R 1 and R 2 each independently represent the group that is represented by formula (a2) or an alkyl group that may be substituted by a halogen atom, R 1 and R 2 are bonded to each other and may form a ring with the sulfur atom within the formula, R 3 is the group represented by formula (a3) or the group represented by formula (a4), A 1 represents S or the like, X − represents a monovalent anion, and R 1 and R 2 are not both an alkyl group which may be substituted with a halogen atom. In formulas (a2) to (a4), the ring Z 1 represents an aromatic hydrocarbon ring, R 4 , R 6 , R 9 , and R 10 each represents a specific monovalent group, R 5 , R 7 , and R 8 each represents a specific divalent group, A 2 and A 3 each represents S or the like, m1 represents an integer of 0 or more, and n1 and n2 each represent 0 or more.

  一种对活性能量射线具有高敏感度的新型磺鎓盐，包括该磺鎓盐的光酸发生剂以及含有该光酸发生剂的光敏组合物。该磺鎓盐由公式（a1）表示。在该公式中，R1和R2分别表示由公式（a2）表示的基团或可能被卤素原子取代的烷基基团，R1和R2彼此相连并且可以与公式中的硫原子形成环，R3表示由公式（a3）表示的基团或由公式（a4）表示的基团，A1表示S或类似物，X-表示一价阴离子，且R1和R2不同时为可能被卤素原子取代的烷基基团。在公式（a2）到（a4）中，环Z1表示芳香族碳氢环，R4、R6、R9和R10各自表示特定的一价基团，R5、R7和R8各自表示特定的二价基团，A2和A3各自表示S或类似物，m1表示0或更多的整数，n1和n2各自表示0或更多。
• Bracket for orthodontics and process for producing the same
  申请人：JAPAN INSTITUTE OF ADVANCED DENTISTRY

  公开号：EP0316086A2

  公开（公告）日：1989-05-17

  A bracket (1) for orthodontics is formed of a material obtained by polymerizing and setting a mixture comprising a multifunctional methacrylate and a multifunctional acry­late, a filler, and a polymerization initiator. The body of the bracket (1) has a thin layer of a synthetic resin material (2) which is partly soluble or swellable in a dental adhesive, laminated on the base surface thereof in such a manner that the composite resin material constitu­ting the bracket body and the synthetic resin material constituting the thin layer (2) are mingled with each other at the boundary therebetween. The synthetic resin thin layer (2) is formed by polymerizing and setting a mixture, comprising a monofunctional methacrylate, a poly­methacrylate or a copolymer thereof, and a polymerisation initiator. Alternatively, a composite resin material B obtained by polymerizing and setting a mixture comprising a multifunctional methacrylate, a monofunctional methacry­late, a silica filler, and a polymerization initiator, is laminated on the base surface of the bracket body. The brackets (1) have improved physical properties, are asthetically pleasing and the thin layer of resin material (2) provided on the surface of the bracket enables improved adhesion of the bracket (1) to a tooth (12).

  一种用于正畸的托架（1）是由一种通过聚合和固化由多功能甲基丙烯酸酯和多功能丙烯酸酯、填料和聚合引发剂组成的混合物而得到的材料形成的。托架主体（1）的基面上有一层合成树脂薄层（2），该合成树脂薄层（2）可部分溶于牙科粘合剂或在牙科粘合剂中溶胀，层压的方式使构成托架主体的复合树脂材料和构成薄层（2）的合成树脂材料在两者之间的边界相互混合。合成树脂薄层（2）是由单官能甲基丙烯酸酯、聚甲基丙烯酸酯或其共聚物和聚合引发剂组成的混合物通过聚合和固化形成的。或者，将由多功能甲基丙烯酸酯、单官能甲基丙烯酸酯、二氧化硅填料和聚合引发剂组成的混合物经聚合和固化得到的复合树脂材料 B 层压在支架体的基面上。 托架（1）的物理性能得到改善，外形美观，而且托架表面的树脂材料（2）薄层使托架（1）与牙齿（12）的附着力得到改善。