3-(p-Isopropylbenzyliden)1-thiochroman-4-on | 176913-18-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 3-(p-Isopropylbenzyliden)1-thiochroman-4-on
• 英文别名: (3Z)-3-[(4-propan-2-ylphenyl)methylidene]thiochromen-4-one
• CAS: 176913-18-1
• 化学式: C₁₉H₁₈OS
• 分子量: 294.417
• InChiKey: ORIHWEDAJTXQTI-LFIBNONCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(p-Isopropylbenzyliden)1-thiochroman-4-on 以 苯 为溶剂， 反应 3.0h， 以41%的产率得到3-[1-(4-Isopropyl-phenyl)-meth-(E)-ylidene]-thiochroman-4-one
  参考文献：
  名称：

  UV-induced isomerisation and ring transformation of (E)-3-arylidene-1-thiochromanones and -1-thioflavanones

  摘要：

  Depending on the substituent of the arylidene moiety, photoisomerisation of (E)-3-arylidene-1-thiochroman-4-ones 1 and 3 afforded either the expected (Z)-1 and (Z)-3 isomers or the products (2d,e and 4c,d) of an unprecedented phototransformation.

  DOI：

  10.1039/p29960000547

文献信息

• Synthesis and stereochemistry of spiropyrazolines
  作者：Gábor Tóth、Áron Szöllősy、Albert Lévai、George Kotovych

  DOI：10.1039/p29860001895

  日期：——

  Spiropyrazolines have been synthesized by 1,3-dipolar cycloaddition of an 2-arylidene-1-tetralone, 3-arylidene-chromanones, -1-thiochromanones, and -flavanones with diazomethane. The relative configuration and stereochemistry of the products have been determined by means of one-dimensional difference N.O.E. measurements. It is shown that ring-closure reaction is regioselective, yielding stereohomogeneous

  螺吡唑啉是通过将2-芳基-1-四氢萘酮，3-芳基-苯并二氢呋喃酮，-1-硫代并苯并二氢呋喃酮和-黄烷酮与重氮甲烷进行1，3-偶极环加成而合成的。产品的相对构型和立体化学已经通过一维差异NOE测量来确定。结果表明，闭环反应是区域选择性的，一步产生立体均一的螺并吡唑啉。
• Fused heterocycles.<b>8</b>. An efficient procedure for the stereoselective synthesis of<i>trans</i>-2,3,3a,4-tetrahydro-3-aryl-2-phenyl[1]benzopyrano[4,3-<i>c</i>]pyrazoles and their [1]benzothiopyrano analogues
  作者：Albert Lévai

  DOI：10.1002/jhet.5570350103

  日期：1998.1

  Stereoselective synthesis of trans-2,3,3a,4-tetrahydro-3-aryl-2-phenyl[1]benzopyrano[4,3-c]pyrazoles 13–18 and their [1]benzothiopyrano analogues 19–24 has been performed by the reaction of 3-arylidenechromanones 1–6 and 3-arylidene-1-thiochromanones 7–12 with phenylhydrazine in hot pyridine. The structure and stereochemistry of the compounds prepared have been elucidated by ir, lH and 13C nmr measurements

  的立体选择性合成反式-2,3,3a，4-四氢-3-芳基-2-苯基[1]苯并吡喃并[4,3- c ^ ]吡唑13-18和它们的[1]苯并噻喃并类似物19-24已被执行通过在热吡啶中3-芳基苯并二氢杂蒽酮1-6和3-芳基-1-硫代并苯并二氢杂苯并酮7-12与苯肼反应。通过ir，l H和13 C nmr测量已经阐明了所制备化合物的结构和立体化学。
• UV-induced isomerisation and ring transformation of (E)-3-arylidene-1-thiochromanones and -1-thioflavanones
  作者：Gábor Tóth、Judit Halász、Albert Lévai、Csaba Nemes、Tamás Patonay

  DOI：10.1039/p29960000547

  日期：——

  Depending on the substituent of the arylidene moiety, photoisomerisation of (E)-3-arylidene-1-thiochroman-4-ones 1 and 3 afforded either the expected (Z)-1 and (Z)-3 isomers or the products (2d,e and 4c,d) of an unprecedented phototransformation.