4-[4-[10-Ethoxy-5-(4-methoxyphenyl)-1',1',5',5'-tetramethyl-11-(2-methylnaphthalen-1-yl)sulfanylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]-5-yl]phenyl]-2-methylmorpholine | 1427470-60-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 4-[4-[10-Ethoxy-5-(4-methoxyphenyl)-1',1',5',5'-tetramethyl-11-(2-methylnaphthalen-1-yl)sulfanylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]-5-yl]phenyl]-2-methylmorpholine
• 英文别名: 4-[4-[10-ethoxy-5-(4-methoxyphenyl)-1',1',5',5'-tetramethyl-11-(2-methylnaphthalen-1-yl)sulfanylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]-5-yl]phenyl]-2-methylmorpholine
• CAS: 1427470-60-7
• 化学式: C₆₀H₆₁NO₄S
• 分子量: 892.215
• InChiKey: VYVKJHIXAOCJCW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.1
• 重原子数：
  66
• 可旋转键数：
  8
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  65.5
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• CHROMENE COMPOUND AND CURABLE COMPOSITION
  申请人：TOKUYAMA CORPORATION

  公开号：US20140225050A1

  公开（公告）日：2014-08-14

  A chromene compound which has a sulfur-containing substituent represented by the following formula (2) at the 6-position and/or 7-position carbon atom of an indeno (2,1-f)naphtho(1,2-b)pyran structure and is excellent in photochromic properties and stability at a high temperature. (In the above formula, ring X is an aromatic hydrocarbon ring or aromatic heterocyclic ring, R 3 and R 4 are each independently an alkyl group, haloalkyl group, cycloalkyl group, alkoxy group, amino group, heterocyclic group containing a ring member nitrogen atom and bonded to the ring X bonded thereto via the nitrogen atom, halogen atom, aryloxy group or aryl group, and “a” is an integer of 0 to 4.)

  一种含有硫取代基的色烯化合物，其在indeno（2,1-f）naphtho（1,2-b）pyran结构的6-位和/或7-位碳原子处，用以下式子（2）表示，并且具有优异的光致变色性能和高温稳定性。（在上述式子中，环X是芳香族烃环或芳香族杂环环，R3和R4各自独立地是烷基，卤代烷基，环烷基，烷氧基，氨基，含有环成员氮原子并通过氮原子与环X结合的杂环基，卤素原子，芳氧基或芳基，而“a”是0到4的整数。）
• US8916071B2
  申请人：——

  公开号：US8916071B2

  公开（公告）日：2014-12-23