[2,2-Di(propan-2-yl)-1,3-benzoxathiol-6-yl]-phenylmethanone

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [2,2-Di(propan-2-yl)-1,3-benzoxathiol-6-yl]-phenylmethanone
• 英文别名: [2,2-di(propan-2-yl)-1,3-benzoxathiol-6-yl]-phenylmethanone
• 化学式: C₂₀H₂₂O₂S
• 分子量: 326.5
• InChiKey: QKQZQZLXFHQVDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• NOVEL PHENYLNAPHTHOL DERIVATIVES
  申请人：TOKUYAMA CORPORATION

  公开号：US20160130203A1

  公开（公告）日：2016-05-12

  Phenylnaphthol derivatives represented by the following general formula (1), wherein, R 1 to R 3 are hydrogen atoms, alkyl groups or aryl groups, and R 2 and R 3 may be bonded together to form an aliphatic hydrocarbon ring or a heterocyclic ring, a and b are, respectively, integers of 0 to 4, R 4 and R 5 are hydroxyl groups, alkyl groups, haloalkyl groups, cycloalkyl groups, alkoxy groups, amino groups, heterocyclic groups having a nitrogen atom as a hetero atom and are bonded together via the nitrogen atom, cyano groups, nitro groups, formyl groups, hydroxycarbonyl groups, alkylcarbonyl groups, alkoxycarbonyl groups, halogen atoms, aralkyl groups, aralkoxy groups, aryloxy groups, aryl groups, heteroaryl groups bonded together via a carbon atom in the ring, alkylthio groups, cycloalkylthio groups, arylthio groups or heteroarylthio groups, and if R 4 or R 5 are present in a plural number, the plurality of R 4 or the plurality of R 5 may be the same or different, or 2 R 4 s or 2 R 5 s may be bonded together to form an alicyclic hydrocarbon ring or a heterocyclic ring. The compounds are useful as intermediate products for the synthesis of, for example, photochromic compounds.

  以下是由下列一般式（1）表示的苯基萘酚衍生物， 其中，R1至R3为氢原子、烷基或芳基，R2和R3可以结合在一起形成脂肪烃环或杂环，a和b分别为0至4的整数，R4和R5为羟基、烷基、卤代烷基、环烷基、烷氧基、氨基、含氮原子作为杂原子的杂环基，并通过氮原子结合在一起，氰基、硝基、甲酰基、羟基羰基基、烷基羰基基、烷氧羰基基、卤素原子、芳基烷基、芳基氧基、芳基氧基、芳基、通过环中的碳原子结合在一起的杂芳基、烷硫基、环烷硫基、芳硫基或杂芳硫基，如果R4或R5以复数形式存在，则复数的R4或复数的R5可以相同或不同，或2个R4或2个R5可以结合在一起形成脂环烃环或杂环。这些化合物可用作合成光变化化合物的中间产物。
• CHROMENE COMPOUND
  申请人：Izumi Shinobu

  公开号：US20140154527A1

  公开（公告）日：2014-06-05

  A chromene compound having a short fading half period, especially, a short fading half period even at a low temperature in a general-purpose polymer solid matrix. The chromene compound is represented by the following formula ( 1 ). wherein R 1 is a hydroxyl group or the like, R 2 and R 3 are each an aryl group or the like, C* is a spiro carbon atom, a spiro ring A represented by the following formula is a saturated hydrocarbon ring having 4 to 12 ring member carbon atoms or the like, and at least one ring member carbon atom constituting the ring A is a group represented by the following formula (4), and X is a divalent group such as arylene group, wherein R 7 and R 8 are each a cycloalkyl group or the like.

  具有短的褪色半衰期的香豆素化合物，特别是在通用聚合物固体基质中，即使在低温下也具有短的褪色半衰期。该香豆素化合物由以下式子（1）表示，其中R1为羟基或类似物，R2和R3分别为芳基或类似物，C*为螺碳原子，由以下式子表示的螺环A为具有4至12个环成员碳原子或类似物的饱和碳氢环，且构成环A的至少一个环成员碳原子为以下式子（4）所表示的基团，X为二价基团，例如芳基烷基，其中R7和R8分别为环烷基或类似物。
• NOVEL PHENYL NAPTHOL DERIVATIVE
  申请人：Tokuyama Corporation

  公开号：EP3018115A1

  公开（公告）日：2016-05-11

  Phenylnaphthol derivatives represented by the following general formula (1), wherein, R1 to R3 are hydrogen atoms, alkyl groups or aryl groups, and R2 and R3 may be bonded together to form an aliphatic hydrocarbon ring or a heterocyclic ring, a and b are, respectively, integers of 0 to 4, R4 and R5 are hydroxyl groups, alkyl groups, haloalkyl groups, cycloalkyl groups, alkoxy groups, amino groups, heterocyclic groups having a nitrogen atom as a hetero atom and are bonded together via the nitrogen atom, cyano groups, nitro groups, formyl groups, hydroxycarbonyl groups, alkylcarbonyl groups, alkoxycarbonyl groups, halogen atoms, aralkylgroups, aralkoxy groups, aryloxy groups, aryl groups, heteroaryl groups bonded together via a carbon atom in the ring, alkylthio groups, cycloalkylthio groups, arylthio groups or heteroarylthio groups, and if R4 or R5 are present in a plural number, the plurality of R4 or the plurality of R5 may be the same or different, or 2 R4s or 2 R5s may be bonded together to form an alicyclic hydrocarbon ring or a heterocyclic ring. The compounds are useful as intermediate products for the synthesis of, for example, photochromic compounds.

  由以下通式 (1) 代表的苯基萘酚衍生物、 其中，R1 至 R3 为氢原子、烷基或芳基，R2 和 R3 可键合在一起形成脂族烃环或杂环，a 和 b 分别为 0 至 4 的整数，R4 和 R5 为羟基、烷基、卤代烷基、环烷基、烷氧基、氨基、以氮原子为杂原子并通过氮原子键合在一起的杂环基团、氰基、硝基、甲酰基、羟基羰基、烷基羰基、烷氧基羰基、卤素原子、芳烷基、芳烷氧基、芳环烷基、烷基羰基、烷氧基羰基、卤素原子、烷基基团、烷氧基基团、芳氧基基团、芳基基团、通过环中一个碳原子结合在一起的杂芳基基团、烷硫基基团、环烷硫基基团、芳硫基基团或杂芳基基团、如果 R4 或 R5 以复数形式存在，则复数的 R4 或复数的 R5 可以相同或不同，或者 2 个 R4 或 2 个 R5 键合在一起形成脂环烃环或杂环。这些化合物可用作合成光致变色化合物等的中间产物。
• US9487693B2
  申请人：——

  公开号：US9487693B2

  公开（公告）日：2016-11-08
• US9643905B2
  申请人：——

  公开号：US9643905B2

  公开（公告）日：2017-05-09