10-Methoxy-5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethyl-11-methylsulfanylspiro[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] | 1263317-81-2

• 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: 10-Methoxy-5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethyl-11-methylsulfanylspiro[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]
• 英文别名: 10-methoxy-5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethyl-11-methylsulfanylspiro[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]
• CAS: 1263317-81-2
• 化学式: C₄₅H₄₆O₄S
• 分子量: 682.924
• InChiKey: DSNWEQILGGWASE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.3
• 重原子数：
  50
• 可旋转键数：
  6
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  62.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-Methoxy-1',1',5',5'-tetramethyl-2-methylsulfanylspiro[benzo[c]fluorene-7,3'-cyclohexane]-5-ol 、 1,1-双(4-甲氧基苯基)-2-丙炔-1-醇 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 1.0h， 以76%的产率得到10-Methoxy-5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethyl-11-methylsulfanylspiro[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]
  参考文献：
  名称：

  CHROMENE COMPOUND

  摘要：

  公开号：

  EP2463280B1

文献信息

• [EN] INDOLENAPHTHOPYRANS AND PHOTOCHROMIC COMPOSITIONS COMPRISING THEM<br/>[FR] INDOLÉAPHTOPYRANES ET COMPOSITIONS PHOTOCHROMIQUES LES COMPRENANT
  申请人：TRANSITIONS OPTICAL LTD

  公开号：WO2020126030A1

  公开（公告）日：2020-06-25

  Provided is a photochromic indolenaphthopyran having the core skeletal structure of Formula (I): wherein R1 and R2 are each independently substituted or unsubstituted alkyloxy, substituted or unsubstituted aryloxy, substituted or unsubstituted alkylthio, substituted or unsubstituted arylthio, substituted or unsubstituted ether, substituted or unsubstituted thioether, amino, a nitrogen-containing heterocycle, substituted or unsubstituted alkyl, substituted or unsubstituted aryl, -NHC(O)Ra, or –OC(O)Ra, wherein Ra is substituted or unsubstituted alkyl, substituted or unsubstituted aryl, substituted or unsubstituted heteroaryl, substituted or unsubstituted alkoxy, substituted or unsubstituted aryloxy, substituted or unsubstituted alkylthio, or substituted or unsubstituted arylthio; R4 is selected from hydrogen, substituted or unsubstituted alkyl, substituted or unsubstituted heterocycloalkyl, allyl, substituted or unsubstituted aryl, or substituted or unsubstituted heteroaryl; and B and B' are each independently substituted or unsubstituted aryl, or substituted or unsubstituted heteroaryl, wherein each substituted aryl or substituted heteroaryl is substituted with a group having a Hammett σp value of greater than -0.50.

  提供的是具有式（I）核心骨架结构的光致变色的吲哚萘吡喃，其中R1和R2分别独立地取代或未取代的烷氧基，取代或未取代的芳氧基，取代或未取代的烷硫基，取代或未取代的芳硫基，取代或未取代的醚，取代或未取代的硫醚，氨基，含氮杂环，取代或未取代的烷基，取代或未取代的芳基，-NHC（O）Ra，或-OC（O）Ra，其中Ra是取代或未取代的烷基，取代或未取代的芳基，取代或未取代的杂芳基，取代或未取代的烷氧基，取代或未取代的芳氧基，取代或未取代的烷硫基，或取代或未取代的芳硫基；R4从氢，取代或未取代的烷基，取代或未取代的杂环烷基，烯丙基，取代或未取代的芳基，或取代或未取代的杂芳基中选择；B和B'分别独立地取代或未取代的芳基，或取代或未取代的杂芳基，其中每个取代的芳基或取代的杂芳基都取代为具有大于-0.50的Hammett σp值的基团。
• 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。）
• Indolenaphthopyrans
  申请人：Transitions Optical, Ltd.

  公开号：US20210317129A1

  公开（公告）日：2021-10-14

  Provided is a photochromic indolenapthtopyran having the core skeletal structure of Formula (I): wherein R 1 and R 2 are each independently substituted or unsubstituted alkyloxy, substituted or unsubstituted aryloxy, substituted or unsubstituted alkylthio, substituted or unsubstituted arylthio, substituted or unsubstituted ether, substituted or unsubstituted thioether, amino, a nitrogen-containing heterocycle, substituted or unsubstituted alkyl, substituted or unsubstituted aryl, —NHC(O)R a , or —OC(O)R a , wherein R a is substituted or unsubstituted alkyl, substituted or unsubstituted aryl, substituted or unsubstituted heteroaryl, substituted or unsubstituted alkoxy, substituted or unsubstituted aryloxy, substituted or unsubstituted alkylthio, or substituted or unsubstituted arylthio; R 4 is selected from hydrogen, substituted or unsubstituted alkyl, substituted or unsubstituted heterocycloalkyl, allyl, substituted or unsubstituted aryl, or substituted or unsubstituted heteroaryl; and B and B′ are each independently substituted or unsubstituted aryl, or substituted or unsubstituted heteroaryl, wherein each substituted aryl or substituted heteroaryl is substituted with a group having a Hammett σ p value of greater than −0.50.
• US8308996B2
  申请人：——

  公开号：US8308996B2

  公开（公告）日：2012-11-13
• US8778236B2
  申请人：——

  公开号：US8778236B2

  公开（公告）日：2014-07-15