3-辛基-3H-2-苯并呋喃-1-酮 | 137786-58-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 中文名称: 3-辛基-3H-2-苯并呋喃-1-酮
• 中文别名: 辛基异苯并呋喃酮
• 英文名称: 3-octyl-1,3-dihydro-1-isobenzofuranone
• 英文别名: 3-Octylphthalide；3-octyl-3H-2-benzofuran-1-one
• CAS: 137786-58-4
• 化学式: C₁₆H₂₂O₂
• 分子量: 246.349
• InChiKey: MYGRPRSFUHJZPY-UHFFFAOYSA-N

物化性质

• 沸点：
  370.5±31.0 °C(Predicted)
• 密度：
  1.015±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  噻蒽 、 壬醛 以38的产率得到3-辛基-3H-2-苯并呋喃-1-酮
  参考文献：
  名称：

  Tetrahedron 2003, 59, 2083-2092

  摘要：

  DOI：

文献信息

• Substituted phthalides, a process for their preparations and pharmaceutical compositions containing them
  申请人：——

  公开号：US20030220393A1

  公开（公告）日：2003-11-27

  The invention relates to compounds of formula (I): wherein R 1 represents an alkyl or ureido group, R 2 represents an alkyl group or a hydrogen atom, or R 1 and R 2 together form a 5- or 6-membered ring, R 3 represents a group CN, NO 2 , NR a R′ a , NR a SO 2 ,R′ a CZR 5 or CZNR a R′ a , R 4 represents a hydrogen atom or a group R 3 . 1

  该发明涉及化合物的结构式(I)：其中R1代表烷基或脲基，R2代表烷基或氢原子，或者R1和R2一起形成5-或6-成员环，R3代表-CN、NO2、NRaR′a、NRaSO2、R′aCZR5或CZNRaR′a的基团，R4代表氢原子或基团R3.
• Dibenzothiepins, phthalans and phthalides from 4-heterosubstituted dibenzothiins
  作者：Miguel Yus、Francisco Foubelo、José V Ferrández

  DOI：10.1016/s0040-4020(03)00210-2

  日期：2003.3

  thiols 2 under acidic conditions leads to the corresponding seven-membered dibenzo heterocycles 5. In the case of thianthrene 1c, after addition of a carbonyl compound as the first electrophile [MeCHO, ButCHO, Me2CO, Et2CO, (CH2)5CO], the corresponding intermediate II can be lithiated again and react with a second electrophile. Diols 3 are obtained after hydrolysis when a carbonyl compound [ButCHO, PhCHO

  在-90至-78的温度范围内，4-锂取代的4-杂取代的二苯并噻吩1（吩沙丁星，吩噻嗪和噻吩）与锂和催化量的4,4'-二叔丁基联苯（DTBB，7.5％摩尔）在锂中的锂化℃，得到相应的官能化有机锂中间体我，其通过与不同的亲电子反应[H 2 O，d 2 O，卜吨CHO，苯甲醛中，Ph（CH 2）2 CHO中，Me 2 CO，等2 CO，（CH 2）5一氧化碳，（CH 2）7CO]在相同温度下进行水解，得到预期的官能化硫醇2。一些硫醇2在酸性条件下的环化反应会导致相应的七元二苯并杂环5。在噻吨1c的情况下，在添加羰基化合物作为第一亲电子试剂后[MeCHO，But CHO，Me 2 CO，Et 2 CO，（CH 2）5 CO]，相应的中间体II可以再次锂化并反应第二个亲电试剂。二醇3被水解时的羰基化合物[卜后得到吨CHO，苯甲醛中，Ph（CH2）2 CHO，Me 2 CO，Et 2 CO，（CH 2）5
• Bathing preparation
  申请人：Kao Corporation

  公开号：EP0357081A2

  公开（公告）日：1990-03-07

  A bathing preparation comprising an alkyl phthalide and/or an alkoxy phthalide and/or an alkylidene phthalide optionally together with carbon dioxide gas or a material capable of generating carbon dioxide gas and an extract of a plant belonging to the family Umbelliferae is disclosed. This bathing preparation has excellent effects of warming, retaining the warmth and accelerating blood circulation.

  本发明公开了一种沐浴制剂，其成分包括烷基邻苯二甲酸酯和/或烷氧基邻苯二甲酸酯和/或亚烷基邻苯二甲酸酯，可选择与二氧化碳气体或能够产生二氧化碳气体的材料以及一种伞形科植物的提取物一起使用。这种沐浴制剂具有极佳的取暖、保暖和加速血液循环的效果。
• Vesicles and polymeric vesicles
  申请人：Kao Corporation

  公开号：EP0503508A1

  公开（公告）日：1992-09-16

  A vesicle comprising, as a membrane-forming ingredient, a phosphoric ester represented by the following general formula (2): wherein R¹ means a hydrogen atom or an alkyl group having 1-4 carbon atoms, R² denotes an alkylene group having 1-6 carbon atoms, R³ and R⁴ may be identical to or different from each other and represent individually an alkyl group having 1-4 carbon atoms, R⁵ stands for an alkylene group having 2-3 carbon atoms, R⁶ means a linear or branched alkyl or alkenyl group which may be substituted by halogen atoms and has 8-36 carbon atoms, a phenyl group which has been substituted by a linear or branched alkyl group having 3-15 carbon atoms or a group represented by the following general formula (3) or (4): in which R⁹ and R¹⁰ may be identical to or different from each other and mean individually a hydrogen atom, a saturated or unsaturated, linear or branched acyl group having 5-36 carbon atoms or a linear or branched alkyl or alkenyl group having 5-36 carbon atoms, provided that both R⁹ and R¹⁰ are not a hydrogen atom at the same time, A denotes NH or an oxygen atom, and n stands for a number of from 0-30, and a polymeric vesicle comprising, as a membrane-forming ingredient, a polymer of the phosphoric ester represented by the general formula (2).

  一种囊泡，其成膜成分是由以下通式（2）代表的磷酸酯： 其中，R¹ 表示氢原子或具有 1-4 个碳原子的烷基，R² 表示具有 1-6 个碳原子的亚烷基，R³ 和 R⁴ 可以彼此相同或不同，并分别代表具有 1-4 个碳原子的烷基，R⁵ 代表具有 2-3 个碳原子的亚烷基、R⁶ 表示可被卤素原子取代且具有 8-36 个碳原子的直链或支链烷基或烯基、被具有 3-15 个碳原子的直链或支链烷基取代的苯基或由以下通式 (3) 或 (4) 代表的基团： 其中 R⁹和 R¹⁰ 可以彼此相同或不同，分别指氢原子、具有 5-36 个碳原子的饱和或不饱和、直链或支链酰基或具有 5-36 个碳原子的直链或支链烷基或烯基、R⁹ 和 R¹⁰ 不能同时为氢原子，A 表示 NH 或氧原子，n 代表 0-30 之间的数字，以及一种聚合囊泡，其中包含通式（2）所代表的磷酸酯聚合物作为成膜成分。
• COATING COMPOSITION FOR TEETH
  申请人：Kao Corporation

  公开号：EP0897709A1

  公开（公告）日：1999-02-24

  The present invention relates to a dental coating composition comprising a polymer which has in its molecule one or more phosphorus series acid residues selected from the group consisting of phosphoric acid, phosphonic acid and phosphinic acid and halides and salts thereof and has a weight-average molecular weight of 10,000 to 5,000,000, and water or a lower alcohol. The composition is a dental coating agent which does not easily peel off when drinking or eating, can be removed easily if necessary and does not have a safety problem.

  本发明涉及一种牙科涂层组合物，该组合物由聚合物和水或低级醇组成，聚合物分子中含有一种或多种磷系列酸残基，这些酸残基选自磷酸、膦酸和膦酸及其卤化物和盐组成的组，重量平均分子量在 10,000 至 5,000,000 之间。该组合物是一种在饮用或进食时不易脱落、在必要时易于去除且不存在安全问题的牙科涂层剂。