1,3-diisopropyl-O-(N-cyclohexylideneamino)-isourea | 1254204-55-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 甲亚胺酸及其衍生物
• 英文名称: 1,3-diisopropyl-O-(N-cyclohexylideneamino)-isourea
• 英文别名: (cyclohexylideneamino) N,N'-di(propan-2-yl)carbamimidate
• CAS: 1254204-55-1
• 化学式: C₁₃H₂₅N₃O
• 分子量: 239.361
• InChiKey: APRLCTNDBMEFSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  46
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  环己酮肟 、 N,N'-二异丙基碳二亚胺 在 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 生成 1,3-diisopropyl-O-(N-cyclohexylideneamino)-isourea
  参考文献：
  名称：

  [EN] O-IMINO-ISO-UREA COMPOUNDS AND POLYMERIZABLE COMPOSITIONS THEREOF
  [FR] COMPOSÉS DE O-IMINO-ISO-URÉE ET LEURS COMPOSITIONS POLYMÉRISABLES

  摘要：

  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。

  公开号：

  WO2010128062A1

文献信息

• O-IMINO-ISO-UREA COMPOUNDS AND POLYMERIZABLE COMPOSITIONS THEREOF
  申请人：Nesvadba Peter

  公开号：US20120108696A1

  公开（公告）日：2012-05-03

  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, R 100 and R 101 are independently H, C 1-18 alkyl, C 3 -C 12 cycloalkyl, C 6 -C 14 aryl, C 1 -C 14 heteroaryl, C 7 -C 15 aralkyl, C 2 -C 14 heteroaralkyl, Cyano, or R 100 and R 101 form together with the carbon to which they are attached a mono or polycyclic C 3 -C 18 carbocyclic or C 1 -C 18 heterocyclic ring; R 102 and R 103 are independently C 1 -C 18 alkyl, C 3 -C 12 cycloalkyl, C 6 -C 14 aryl, C 6 -C 14 aryl once or more than once substituted by C 1 -C 18 alkyl; C 7 -C 15 aralkyl, (CH 3 ) 3 Si—; or R 102 and R 103 are C 1 -C 18 alkyl, C 3 -C 12 cycloalkyl, C 6 -C 14 aryl, C 7 -C 15 aralkyl or R 102 and R 103 are C 1 -C 18 alkyl, C 3 -C 12 cycloalkyl which are interrupted or substituted by O or by N containing groups selected from C 1 -C 18 alkylamino, bis(C 1 -C 18 alkyl)amino or tris(C 1 -C 18 alkyl)ammonium; R 104 if n is 1 is H, C 1 -C 18 alkyl, C 3 -C 12 cycloalkyl, C 7 -C 14 aralkyl, C 6 -C 14 aryl or acyl selected from the group consisting of the following acyls —C(═O)—H, —C(═O)—C 1 -C 18 alkyl, —C(═O)—C 2 -d 18 alkenyl, —C(═O)—C 6 -C 14 aryl, —C(═O)—C 2 -C 18 alkenyl-C 6 -C 14 aryl, —C(═O)—O—C 1 C 18 alkyl, —C(═O)—O—C 6 -C 14 aryl, —C(═O)—NH—C 1 -C 18 alkyl, —C(═O)—NH—C 6 -C 14 aryl and —C(═O)—N(C 1 C 18 alkyl) 2 ; or R 102 and R 104 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, R 104 if n is more than 1 is di-, tri-, tetra-C 1 -C 18 alkylidene, diacyls, triacyls or tetraacyls and salts thereof.

  本发明涉及将O-亚胺异脲化合物用作自由基的来源，所述自由基可用于包含这些O-亚胺异脲化合物的可聚合组合物，并涉及新的O-亚胺异脲化合物。O-亚胺异脲化合物是化合物(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、氰基，或R100和R101与它们所连接的碳共同形成一个单环或多环的C3-C18碳环烷基或C1-C18杂环烷基；R102和R103独立地为C1-C18烷基、C3-C12环烷基、C6-C14芳基、C6-C14芳基经过一次或多次取代的C1-C18烷基；C7-C15芳基烷基、(CH3)3Si—；或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C1-C18烷基、C3-C12环烷基，其中通过O或N含有的C1-C18烷基氨基、双(C1-C18烷基)氨基或三(C1-C18烷基)铵基中断或取代；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，所述酰基包括以下酰基：—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与它们所连接的氮原子共同形成一个5到12个成员的环，该环可以含有额外的杂原子；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。
• POLYMERIZABLE COMPOSITIONS CONTAINING ETHYLENICALLY UNSATURATED MONOMERS HAVING EPISULFIDE FUNCTIONAL GROUPS AND RELATED METHODS
  申请人：Hickenboth Charles R.

  公开号：US20130225777A1

  公开（公告）日：2013-08-29

  Provided is a polymerizable composition of (a) a monomer composition including ethylenically unsaturated monomer having a β-epithiopropyl functional group; (b) optionally, a compound having two or more β-epithiopropyl functional groups but no polymerizable ethylenically unsaturated groups; (c) an isourea functional polymerization initiator; and (d) a catalyst for reaction between the β-epithiopropyl functional groups. Also provided is a method of reducing the yellowness index of a sulfur-containing polymerizate prepared by addition polymerization, the method including reacting in the presence of an isourea functional polymerization initiator and a catalyst for reaction between β-epithiopropyl functional groups, a polymerizable composition of: (a) a monomer composition including ethylenically unsaturated monomer having a β-epithiopropyl functional group; and, optionally, (b) a compound having two or more β-epithiopropyl functional groups but no polymerizable ethylenically unsaturated groups.
• US8664288B2
  申请人：——

  公开号：US8664288B2

  公开（公告）日：2014-03-04
• US9051426B2
  申请人：——

  公开号：US9051426B2

  公开（公告）日：2015-06-09
• US9127098B2
  申请人：——

  公开号：US9127098B2

  公开（公告）日：2015-09-08