2,2-dimethyl-1H,3H-naphtho<1,8-cd>pyran | 78278-69-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2,2-dimethyl-1H,3H-naphtho<1,8-cd>pyran
• 英文别名: 2,2-Dimethyl-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
• CAS: 78278-69-0
• 化学式: C₁₄H₁₄O
• 分子量: 198.265
• InChiKey: WJMCSRKWTFEOHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-hydroxymethyl-8-isopropenylnaphthalene 在 氢溴酸 作用下， 生成 2,2-dimethyl-1H,3H-naphtho<1,8-cd>pyran
  参考文献：
  名称：

  通过分子力学计算和动态核磁共振光谱法测定1 H，3 H-萘[1,8- cd ]-吡喃及其甲基取代衍生物的环反转能垒

  摘要：

  用Allinger的MMPI程序进行的分子力学计算表明，用甲基取代1 H，3 H-萘[1,8- cd ]吡喃中的亚甲基氢可降低环转化的障碍。这似乎是由于基态的空间相互作用增加而引起的，而过渡态的能量受到的影响较小。已经计算出反演过程的过渡态具有C 2 v对称性。引入甲基时增加的空间位阻会导致平面更平坦（即，褶皱更少）的基态，而C–O–C键角也会增加。2,2-二甲基-1 H的动态1 H nmr光谱，3 H-萘并[1,8- cd ]吡喃揭示了在–133°下6.9 kcal mol –1的环反转的ΔG †值。对于通过动态核磁共振研究的其他四个萘并吡喃，只能获得反演势垒的上限。

  DOI：

  10.1039/p29810000741

文献信息

• [EN] NEW ALPHA2 ADRENOCEPTOR AGONISTS<br/>[FR] NOUVEAUX AGONISTES DU RÉCEPTEUR ADRÉNERGIQUE ALPHA2
  申请人：ORION CORP

  公开号：WO2013150173A1

  公开（公告）日：2013-10-10

  Compounds of formula (I), wherein X and R1-R6, are as defined in the claims, exhibit alpha2 agonistic activity and thus useful as alpha2 agonists, especially as alpha2A agonists. Methods of use of said compounds are also provided.

  式(I)的化合物，其中X和R1-R6如权利要求中所定义，具有α2激动活性，因此可用作α2激动剂，特别是作为α2A激动剂。还提供了使用上述化合物的方法。
• NEW ALPHA2 ADRENOCEPTOR AGONISTS
  申请人：Orion Corporation

  公开号：EP2834233A1

  公开（公告）日：2015-02-11
• POLYMER HAVING A STRUCTURE OF POLYAMIDE, POLYAMIDE-IMIDE, OR POLYIMIDE, PHOTOSENSITIVE RESIN COMPOSITION, PATTERNING PROCESS, PHOTOSENSITIVE DRY FILM, AND PROTECTIVE FILM FOR ELECTRIC AND ELECTRONIC PARTS
  申请人：SHIN-ETSU CHEMICAL CO., LTD.

  公开号：US20200041903A1

  公开（公告）日：2020-02-06

  The present invention is a polymer having a polyamide structural unit, a polyamide-imide structural unit, or a polyimide structural unit, selected from a polyamide, a polyamide-imide, a polyimide, a polyimide precursor, a polybenzoxazole, and a polybenzoxazole precursor, including a reaction product of a diamine containing at least one of a diamine shown by the following general formula (1) and a diamine shown by the following general formula (2), together with at least one of a tetracarboxylic dianhydride shown by the following general formula (3) as well as a dicarboxylic acid and a dicarboxylic halide shown by the following general formula (4). This provides a polymer which is soluble in a safe organic solvent used widely, and is usable as a base resin of a positive photosensitive resin composition that is soluble in an aqueous alkaline solution and capable of forming a fine pattern to give higher resolution.