11-(2,6-Dimethylphenyl)sulfanyl-1',1'-diethyl-10-methoxy-5,5-bis(4-methoxyphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,4'-cyclohexane] | 1427470-49-2

• 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: 11-(2,6-Dimethylphenyl)sulfanyl-1',1'-diethyl-10-methoxy-5,5-bis(4-methoxyphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,4'-cyclohexane]
• 英文别名: 11-(2,6-dimethylphenyl)sulfanyl-1',1'-diethyl-10-methoxy-5,5-bis(4-methoxyphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,4'-cyclohexane]
• CAS: 1427470-49-2
• 化学式: C₅₂H₅₂O₄S
• 分子量: 773.048
• InChiKey: RRTOOLLBJVSRJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15
• 重原子数：
  57
• 可旋转键数：
  9
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  62.2
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• CHROMENE COMPOUND, CURABLE COMPOSITION COMPRISING THE COMPOUND, AND OPTICAL ARTICLE INCLUDING A CURED BODY OF THE CURABLE COMPOSITION
  申请人：TOKUYAMA CORPORATION

  公开号：US20200190106A1

  公开（公告）日：2020-06-18

  A chromene compound having at least one indenonaphthopyran moiety which has a group forming a spiro ring together with the 13-position carbon atom and further an oligomer chain group selected from a polyalkylene oxide oligomer chain group having at least three recurring units and a polyester oligomer chain group having at least three recurring units, represented by the following formula and having reduced matrix dependence: wherein R 1 and R 2 are each a group which may have an oligomer chain group, the ring Z bonded to the 13-position carbon atom of the chromene compound is a Spiro ring group, and R 3 and R 4 are each an aryl group or heteroaryl group which may have an oligomer chain group. Preferably, the chromene compound has at least one oligomer chain group in the molecule.

  具有至少一个印苯并萘吡喃基团的色酮化合物，其中该基团与13位碳原子形成螺环，并且进一步具有从至少三个重复单元中选择的聚烷氧基寡聚物链基团和聚酯寡聚物链基团中的一个寡聚物链基团，由下式表示并具有降低的矩阵依赖性： 其中R1和R2是各自可能具有寡聚物链基团的基团，与色酮化合物的13位碳原子键合的环Z是螺环基团，而R3和R4是各自可能具有寡聚物链基团的芳基或杂环基团。最好，该色酮化合物在分子中至少具有一个寡聚物链基团。
• 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。）
• US8916071B2
  申请人：——

  公开号：US8916071B2

  公开（公告）日：2014-12-23
• [EN] CHROMENE COMPOUND, CURABLE COMPOSITION COMPRISING SAME, AND OPTICAL ARTICLE COMPRISING CURED PRODUCT FORMED OF CURABLE COMPOSITION<br/>[FR] COMPOSÉ DE CHROMÈNE, COMPOSITION DURCISSABLE LE COMPRENANT, ET ARTICLE OPTIQUE COMPRENANT UN PRODUIT DURCI FORMÉ D'UNE COMPOSITION DURCISSABLE<br/>[JA] クロメン化合物、該化合物を含む硬化性組成物、および該硬化性組成物からなる硬化体を含む光学物品
  申请人：TOKUYAMA CORP

  公开号：WO2019013249A1

  公开（公告）日：2019-01-17

  １３位の炭素原子と共にスピロ環を形成する基を有するインデノナフトピラン部位を少なくとも１つ以上有し、さらに、該インデノナフトピラン部位が、繰り返し単位を３つ以上有する、ポリアルキレンオキシドオリゴマー鎖基およびポリエステルオリゴマー鎖基から選ばれるオリゴマー鎖基を有するマトリックス依存性が低減されクロメン化合物であり、下記式（１）　ここで、Ｒ１、およびＲ２は、オリゴマー鎖基を有してもよい基であり、該クロメン化合物の１３位の炭素原子と結合する環Ｚはスピロ環基であり、Ｒ３、およびＲ４は、オリゴマー鎖基を有してもよいアリール基又はヘテロアリール基である、分子内に少なくとも１つの前記オリゴマー鎖基を有するクロメン化合物が好ましい。