isophorone diisocyanate | 1027059-94-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: isophorone diisocyanate
• 英文别名: isophorone-diisocyanate；isophoronediisocyanate；2,3-Diisocyanato-3,5,5-trimethylcyclohexan-1-one
• CAS: 1027059-94-4
• 化学式: C₁₁H₁₄N₂O₃
• 分子量: 222.244
• InChiKey: KGGLJOZZTDIYAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  75.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  isophorone diisocyanate 、 4-辛基酚二乙氧基化物 生成 diurethane reaction product
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Organometallic monoacylarylphosphines
  申请人：——

  公开号：US20010031898A1

  公开（公告）日：2001-10-18

  1 R 1 and R 2 independently of one another are C 1 -C 20 alkyl, OR 11 , CF 3 or halogen; R 3 , R 4 and R 5 independently of one another are hydrogen, C-C 20 alkyl, OR 11 or halogen; R 6 , R 7 , R 8 , R 9 and R 10 independently of one another are hydrogen, C 1 -C 20 alkyl; C 2 -C 20 alkyl which is interrupted once or more than once by nonconsecutive O atoms and which is unsubstituted or substituted by OH and/or SH; or R 6 , R 7 , R 8 , R 9 and R 10 are OR 11 , SR 11 , N(R 12 )(R 13 ), phenyl or halogen; R 11 is C 1 -C 20 alkyl, C 3 -C 8 cycloalkyl, phenyl, benzyl or C 2 -C 20 alkyl which is interrupted once or more than once by O or S and which is unsubstituted or substituted by OH and/or SH; R 12 and R 13 independently of one another are hydrogen, C 1 -C 20 alkyl, C 3 -C 8 cycloalkyl, phenyl, benzyl or C 2 -C 20 alkyl which is interrupted once or more than once by nonconsecutive O atoms and which is unsubstituted or substituted by OH and/or SH; or R 12 and R 13 together are C 3 -C 5 alkylene which can be interrupted by O, S or NR 14 ; R 14 is hydrogen, phenyl, C 1 -C 12 alkyl or C 2 -C 12 alkyl which is interrupted once or more than once by O or S and which is unsubstituted or substituted by OH and/or SH; and M is hydrogen, Li, Na or K; are valuable intermediates for the preparation of unsymmetrical bisacylphosphine oxides and monoacylphosphine oxides.

  翻译结果： 独立于彼此的R1和R2是C1-C20烷基，OR11，CF3或卤素；R3、R4和R5独立于彼此是氢、C-C20烷基，OR11或卤素；R6、R7、R8、R9和R10独立于彼此是氢、C1-C20烷基；C2-C20烷基在非连续的O原子处中断一次或多次，未经取代或由OH和/或SH取代；或者R6、R7、R8、R9和R10是OR11、SR11、N（R12）（R13）、苯基或卤素；R11是C1-C20烷基、C3-C8环烷基、苯基、苄基或由O或S中断一次或多次的C2-C20烷基，未经取代或由OH和/或SH取代；R12和R13独立于彼此是氢、C1-C20烷基、C3-C8环烷基、苯基、苄基或在非连续的O原子处中断一次或多次的C2-C20烷基，未经取代或由OH和/或SH取代；或者R12和R13一起是C3-C5脂肪烃，可以由O、S或NR14中断；R14是氢、苯基、C1-C12烷基或由O或S中断一次或多次的C2-C12烷基，未经取代或由OH和/或SH取代；M是氢、Li、Na或K；它们是制备非对称双酰基膦氧化物和单酰基膦氧化物的有价值的中间体。
• Bathochromic mono-and bis-acylphosphine oxides and sulfides and their use as photoinitiators
  申请人：——

  公开号：US20040204613A1

  公开（公告）日：2004-10-14

  Compounds of formula (I), wherein A is S or O; x is 0 or 1; a is SR 10 or N(R 11 )(R 12 ); R 1 and R 2 are C 1 -C 24 alkyl, OR 10 , CF 3 or halogen; R 3 , R 4 and R 5 are hydrogen, C 1 -C 24 alkyl, OR 10 or halogen; or two of the radicals R 11 R 21 R 31 R 4 and/or R 9 together form C 1 -C 2 oalkylene uninterrupted or interrupted by O, S or NR 13 ; R 6 , R 11 R 8 and R 9 are hydrogen, C 1 -C 24 alkyl; C 2 -C 24 alkyl which is interrupted one or more times by non-consecutive O atoms and unsubstituted or substituted by OH and/or SH, or R 6 , R 7 , R 8 and Rg are OR 10 ; halogen; or phenyl unsubstituted or substituted one or more times by C-Calkyl; R 10 , R 11 and R 12 are e.g. hydrogen; X is e.g. (II), and R 2 ; have one of the meanings given for R 1 and R 2 ; and R 3 ′, R 4 ′ and Rs′ have one of the meanings given for R 3 , R 4 and R 5 ; are suitable as photoinitiators, especially for irradiation with light of relatively long wavelengths. 1

  式(I)的化合物，其中A为S或O；x为0或1；a为SR10或N（R11）（R12）；R1和R2为C1-C24烷基，OR10，CF3或卤素；R3，R4和R5为氢，C1-C24烷基，OR10或卤素；或者R11R21R31R4和/或R9中的两个基团通过O，S或NR13中断或不中断地形成C1-C2烷基；R6，R11R8和R9为氢，C1-C24烷基；由非连续的O原子中断一次或多次并由OH和/或SH未取代或取代的C2-C24烷基，或者R6，R7，R8和Rg为OR10；卤素；或苯基未取代或取代一次或多次的C-C烷基；R10，R11和R12例如为氢；X例如为（II），并且R2具有R1和R2给出的含义之一；R3'，R4'和Rs'具有R3，R4和R5给出的含义之一；适用于光引发剂，特别是对于相对较长波长的光辐射。
• Production Processes and Systems, Compositions, Surfactants, Monomer Units, Metal Complexes, Phosphate Esters, Glycols, Aqueous Film Forming Foams, and Foam Stabilizers
  申请人：Jackson Andrew

  公开号：US20090137773A1

  公开（公告）日：2009-05-28

  Compositions and methods for making compositions such as RF(Rτ)nQ are provided. The RF group can include at least two —CF3 groups, the Rτ group can be a group having at least two carbons, n can be at least 1, and the Q group can include one or more atoms of the periodic table of elements. RF-intermediates (RF(RT)nQg); Surfactants (RF(RT)nQs); Foam stabilizers (RF(RT)IIQFS); Metal complexes (RF(RT)IIQMC); Phosphate ester (RF(RT)HQPE); Polymers (RF(RT)IIQMU); Monomers (RF(RT)IIQM); Urethanes (RF(Rτ)nQu); and/or Glycols (RF(RT)IIQH) and methods for making the same are provided.

  本发明提供了制备RF（Rτ）nQ等组合物的方法和组合物。其中，RF基团可以包括至少两个—CF3基团，Rτ基团可以是具有至少两个碳的基团，n可以至少为1，而Q基团可以包括元素周期表中的一个或多个原子。本发明还提供了RF中间体（RF（Rτ）nQg）；表面活性剂（RF（Rτ）nQs）；泡沫稳定剂（RF（Rτ）IIQFS）；金属配合物（RF（Rτ）IIQMC）；磷酸酯（RF（Rτ）HQPE）；聚合物（RF（Rτ）IIQMU）；单体（RF（Rτ）IIQM）；脲（RF（Rτ）nQu）；以及/或者乙二醇（RF（Rτ）IIQH）和制备它们的方法。
• Thermosetting high solids solvent-based polyester-urethane one-component coating compositions
  申请人：PPG INDUSTRIES, INC.

  公开号：EP0140186A2

  公开（公告）日：1985-05-08

  This invention encompasses a high solids, solvent-based, thermosetting composition having the necessary hardness and flexibility that make it an effective coating for both elastomeric and hard metal substrates. The composition comprises a polyester-urethane polyol and a curing agent such as an aminoplast.

  本发明包括一种高固含量、溶剂型热固性组合物，它具有必要的硬度和柔韧性，可有效涂覆弹性基材和硬金属基材。该组合物由聚酯-聚氨酯多元醇和固化剂（如氨基塑料）组成。
• Thermosetting high solids solvent-based polyester polyol coating compositions
  申请人：PPG INDUSTRIES, INC.

  公开号：EP0145006A2

  公开（公告）日：1985-06-19

  This invention encompasses a high solids, solvent-based, thermosetting composition having the necessary hardness and flexibility that make it an effective coating for both elastomeric and metal substrates. The composition comprises a polyester polyol and a curing agent such as an aminoplast.

  本发明包括一种高固含量、溶剂型热固性组合物，它具有必要的硬度和柔韧性，可有效涂覆弹性基材和金属基材。该组合物由聚酯多元醇和固化剂（如氨基塑料）组成。