2-Methyl-3-(2-nitro-phenyl)-acrylsaeure-amid | 1016-61-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 2-Methyl-3-(2-nitro-phenyl)-acrylsaeure-amid
• 英文别名: 2-methyl-3-(2-nitrophenyl)prop-2-enamide
• CAS: 1016-61-1
• 化学式: C₁₀H₁₀N₂O₃
• 分子量: 206.201
• InChiKey: JNTIIXYMBIXIES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  88.9
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• [EN] O-IMINO-ISO-UREA COMPOUNDS AND POLYMERIZABLE COMPOSITIONS THEREOF<br/>[FR] COMPOSÉS DE O-IMINO-ISO-URÉE ET LEURS COMPOSITIONS POLYMÉRISABLES
  申请人：BASF SE

  公开号：WO2010128062A1

  公开（公告）日：2010-11-11

  The invention relates to the use of O-imino-iso-urea compounds as source of radicals to polymerizable compositions comprising these O-imino-iso-urea and to new O-imino-iso-urea compounds. The O-lmino-isoureas compounds are compounds of the Formula (I), wherein n is 1, 2, 3 or 4, R100and R101 are independently H, C1-18 alkyl, C3-C12cycloalkyl, C6-C14aryl, C1-C14heteroaryl, C7-C15aralkyl, C2-C14heteroaralkyl, Cyano, or R100 and R101 form together with the carbon to which they are attached a mono or polycyclic C3-C18 carbocyclic or C1-C18 heterocyclic ring; R102 and R103 are independently C1-C18alkyl, C3-C12cycloalkyl, C6-C14aryl, C6-C14aryl once or more than once substituted by C1-C18alkyl; C7-C15aralkyl, (CH3)3Si-; or R102 and R103 are C1-C18alkyl, C3-C12cycloalkyl, C6-C14aryl, C7-C15aralkyl or R102 and R103 are C1-C18alkyl, C3-C12cycloalkyl which are interrupted or substituted by O or by N containing groups selected from C1-C18alkylamino, bis(C1-C18alkyl)amino or tris(C1-C1talkyl)ammonium; R104 if n is 1 is is H, C1-C18alkyl, C3-C12cycloalkyl, C7-C14aralkyl, C6-C14aryl or acyl selected from the group consisting of the following acyls -C(=O)-H, -C(=O)-C1-C18alkyl, -C(=O)-C2-d18alkenyl, -C(=O)-C6-C14aryl, -C(=O)-C2-C18alkenyl-C6-C14aryl, -C(=O)-O-C1C18alkyl, -C(=O)-O-C6-C14aryl, -C(=O)-NH-C1-C18alkyl, -C(=O)-NH-C6-C14aryl and -C(=O)-N(C1C18alkyl)2; or R102 and R104 if n is 1 form together with the nitrogen atom to which they are attached a 5 to 12 membered ring which may contain additional heteroatoms, R104 if n is more than 1 is di-, tri-, tetra-C1-C18alkylidene, diacyls, triacyls or tetraacyls and salts thereof.

  该发明涉及将O-亚亚胺基-异脲化合物用作自由基的来源，用于包括这些O-亚亚胺基-异脲化合物的聚合物组合物，以及新的O-亚亚胺基-异脲化合物。O-亚亚胺基-异脲化合物是具有以下式（I）的化合物，其中n为1、2、3或4，R100和R101独立地为H、C1-18烷基、C3-C12环烷基、C6-C14芳基、C1-C14杂芳基、C7-C15芳基烷基、C2-C14杂芳基烷基、氰基，或R100和R101与它们连接的碳共同形成一个单环或多环的C3-C18碳环或C1-C18杂环；R102和R103独立地为C1-C18烷基、C3-C12环烷基、C6-C14芳基、C6-C14芳基，或被C1-C18烷基取代一次或多次，C7-C15芳基烷基，（CH3）3Si-；或者R102和R103为C1-C18烷基、C3-C12环烷基、C6-C14芳基、C7-C15芳基烷基，或者R102和R103为被O或N含基团中断或取代的C1-C18烷基胺基、双（C1-C18烷基）胺基或三（C1-C1talkyl）铵；如果n为1，则R104为H、C1-C18烷基、C3-C12环烷基、C7-C14芳基烷基、C6-C14芳基或从以下酰基中选择的酰基 -C（=O）-H、-C（=O）-C1-C18烷基、-C（=O）-C2-d18烯基、-C（=O）-C6-C14芳基、-C（=O）-C2-C18烯基-C6-C14芳基、-C（=O）-O-C1C18烷基、-C（=O）-O-C6-C14芳基、-C（=O）-NH-C1-C18烷基、-C（=O）-NH-C6-C14芳基和-C（=O）-N（C1C18烷基）2；或者如果n为1，则R102和R104共同与它们连接的氮原子形成一个含有额外杂原子的5至12元环；如果n大于1，则R104为二、三、四个C1-C18烷基亚甲基、二酰基、三酰基或四酰基及其盐。
• [EN] NOVEL OLIGOFUNCTIONAL PHOTOINITIATORS<br/>[FR] NOUVEAUX PHOTO-INITIATEURS OLIGOFONCTIONNELS
  申请人：BASF SE

  公开号：WO2010108862A1

  公开（公告）日：2010-09-30

  The invention pertains to novel oligofunctional photoinitiators of the formula (1) or (1A). R1 and R2 are methyl or together are -(CH2)5-; and n is 2 or 3, and the solvent in (1A) is water or an organic solvent; and their use in photopolymerizable compositions, in particular inks.

  本发明涉及公式（1）或（1A）的新型寡功能光引发剂。其中，R1和R2为甲基或一起为-(CH2)5-；n为2或3，（1A）中的溶剂为水或有机溶剂；以及它们在光聚合组合物中的使用，特别是油墨中的使用。
• NOVEL OLIGOFUNCTIONAL PHOTOINITIATORS
  申请人：BASF SE

  公开号：EP2411359A1

  公开（公告）日：2012-02-01
• O-IMINO-ISO-UREA COMPOUNDS AND POLYMERIZABLE COMPOSITIONS THEREOF
  申请人：BASF SE

  公开号：EP2427428A1

  公开（公告）日：2012-03-14