3,3,3-triethoxy-1-phenyl-1-propyne | 79023-44-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,3,3-triethoxy-1-phenyl-1-propyne
• 英文别名: phenyl-orthopropiolic acid triethyl ester；Phenyl-orthopropiolsaeure-triaethylester；3,3,3-triethoxyprop-1-ynylbenzene
• CAS: 79023-44-2
• 化学式: C₁₅H₂₀O₃
• 分子量: 248.322
• InChiKey: MIROZLRDCMFVGA-UHFFFAOYSA-N

物化性质

• 沸点：
  126 °C(Press: 5 Torr)
• 密度：
  1.03±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  27.69
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  3,3,3-triethoxy-1-phenyl-1-propyne 在 盐酸 、 sodium hydroxide 、 三氯化铝 、 氯化亚砜 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 18.5h， 生成 1-phenylpenta-1,4-diyn-3-one
  参考文献：
  名称：

  Preparation of arylpropiolate esters from trichlorocyclopropenium cation and elaboration of the esters to unsymmetrical 1,4-pentadiyn-3-ones and unsymmetrical tellurapyranones

  摘要：

  DOI：

  10.1021/jo00392a031
• 作为产物：
  描述：

  Triethoxyacetonitril 、 苯基乙炔基溴化镁 以64%的产率得到
  参考文献：
  名称：

  KANTLEHNER W.; MAIER T.; KAPASSAKALIDIS J. J., SYNTHESIS, 1981, NO 5, 380-1

  摘要：

  DOI：

文献信息

• Preparation of Ethyl Arylpropiolates from Aryl Iodides by Palladium-Catalyzed Cross-Coupling Reaction
  作者：Takao Sakamoto、Futoshi Shiga、Akito Yasuhara、Daishi Uchiyama、Yoshinori Kondo、Hiroshi Yamanaka

  DOI：10.1055/s-1992-26214

  日期：——

  The palladium-catalyzed cross-coupling reaction of aryl iodides with 3,3,3-triethoxy-1-propyne gave 1-aryl-3,3,3-triethoxy-1-propynes which were converted to the corresponding ethyl arylpropiolates. The arylpropiolates were also synthesized from the cross-coupling reactions of aryl iodides with 2-ethoxycarbonyl-1-ethynylzinc chloride or ethyl (tributylstannyl)propiolate, but the reactions were not generally applicable.

  钯催化的芳基碘与3,3,3-三乙氧基-1-丙炔的交叉偶联反应生成1-芳基-3,3,3-三乙氧基-1-丙炔，这些产物被转化为相应的乙基芳基丙二酸酯。芳基丙二酸酯也可以通过芳基碘与2-乙氧羰基-1-乙炔基锌氯或乙基（三丁基锡基）丙二酸酯的交叉偶联反应合成，但这些反应并不普遍适用。
• Reaction of acetylenic and vinylic organolithium reagents with triethoxycarbenium tetrafluoroborate: Preparation of α-acetylenic and α-ethylenic triethyl orthocarboxylates
  作者：G. Picotin、Ph. Miginiac

  DOI：10.1016/0022-328x(87)80242-5

  日期：1987.7

  Acetylenic and vinylic lithium derivatives react with triethoxycarbenium tetrafluoroborate to give α-unsaturated triethyl orthocarboxylates.

  乙炔和乙烯基锂衍生物与四氟硼酸三乙氧基碳鎓反应生成α-不饱和原甲酸三乙酯。
• Psychological Functioning in Children and Adolescents With Sturge-Weber Syndrome
  作者：Lynn Chapieski、Ann Friedman、David Lachar

  DOI：10.1177/088307380001501004

  日期：2000.10

  Previous studies of individuals with Sturge-Weber syndrome have focused on the medical aspects of this syndrome, but little has been known about the affective and behavioral correlates. We collected psychological and medical data from parents and teachers for 79 children and adolescents with Sturge-Weber syndrome and a group of their siblings. We also obtained the results of intellectual assessment for a subset of the Sturge-Weber syndrome group. The young people with Sturge-Weber syndrome exhibited more problems than the group of siblings across a number of behavioral domains: intellectual/academic, social skills, mood, and compliance. Those children most at risk for psychological problems were those with lower levels of intellectual functioning, those with seizure disorders, and those with more frequent seizures. Larger port-wine stains were also associated with an increase in mood and social problems but only for older children. Increased age was not associated with lower levels of intellectual or academic functioning, but mood and social problems were more common in older children. (J Child Neurol 2000;15:660-665).

  以前对患有Sturge-Weber综合征的个体的研究主要集中在这种综合征的医学方面，但对情感和行为相关性知之甚少。我们为79名患有Sturge-Weber综合征的儿童和青少年以及他们的一组兄弟姐妹收集了来自父母和老师的心理和医学数据。我们还为一部分Sturge-Weber综合征患者组获得了智力评估结果。患有Sturge-Weber综合征的年轻人在多个行为领域（智力/学术、社交技能、情绪和服从）上表现出比兄弟姐妹组更多的问题。那些最容易出现心理问题的儿童是智力功能较低、癫痫发作的儿童以及发作频率更高的儿童。较大的胎记也与情绪和社交问题增加有关，但仅适用于年龄较大的儿童。增长的年龄与智力或学术功能较低无关，但情绪和社交问题在年龄较大的儿童中更为常见。 （《儿童神经病学杂志》2000年；15：660-665）。
• Synthesis of Acetylenic Acetals, Ketals and Orthoesters
  作者：B. W. Howk、J. C. Sauer

  DOI：10.1021/ja01550a048

  日期：1958.9
• Ein neues ergiebiges Verfahren zur Herstellung von Trialkyl-orthobenzoaten und Trialkyl-orthophenylpropynoaten
  作者：Willi Kantlehner、Thomas Maier、Joannis J. Kapassakalidis

  DOI：10.1055/s-1981-29458

  日期：——