1-(3-chloro-phenyl)-4-phenyl-butane | 84648-58-8

• 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: 1-(3-chloro-phenyl)-4-phenyl-butane
• 英文别名: 1-(3-Chlor-phenyl)-4-phenyl-butan
• CAS: 84648-58-8
• 化学式: C₁₆H₁₇Cl
• 分子量: 244.764
• InChiKey: XKSPDNKVOFOKOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.91
• 重原子数：
  17.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 palladium(II)-hydroxide-barium sulfate-catalyst 、 溶剂黄146 作用下， 生成 1-(3-chloro-phenyl)-4-phenyl-butane
  参考文献：
  名称：

  Alcohol Drinkers Overreport Their Energy Intake in the BIRNH Study: Evaluation by 24-Hour Urinary Excretion of Cations

  摘要：

  Objective: Alcohol drinkers are generally considered to underreport their alcohol intake, but little is known about whether they correctly report their energy intake (EI). We assessed the validity of the reported energy intake of alcohol drinkers using the 24-hour urinary (U) excretion of potassium (K) and sodium (Na) as biomarkers.Methods: A total of 2,124 men and 1,998 women 25 to 74 years of age with a 24-hour urine collection. a random sample of the Belgian Interuniversity Research on Nutrition and Health (BIRNH), were studied. Dietary intake (D), including alcohol consumption, was assessed by a one-day food record, Basal metabolic rate (BMR) was predicted from age gender and weight. As a measure for the degree of reporting error. D-K/U-K, D-Na/U-Na, EI/U-K, Non-alcohol EI/U-Na (NAEI/U-Na), Ei/U-Na, EVU-creatinine and EI/BMR ratios were calculated and compared among non-, moderate and heavy drinkers in both genders.Results: El, NAEI and all seven ratios examined generally increased with the level of alcohol intake in both genders. After adjustment for age, body mass index, smoking and educational level, most ratios were significantly higher in moderate drinkers (p < 0.02 to p < 0.0001) and in heavy drinkers (all p < 0.0001) than in non-drinkers. These differences were most significant in male heavy drinkers. The exceptions were D-K/U-K. D-Na/U-Na and NAEI/U-Na in moderate and female heavy drinkers and EI/U-K in male moderate drinkers. The estimated amount of the overreporting of El by heavy drinkers was 27.8% in men and 13.7% in women.Conclusions: This study provides evidence that El and NAEI obtained from the BIRNH study was overreported among alcohol drinkers, especially among male heavy drinkers. It also indicates that El from alcohol replaced El from food.

  DOI：

  10.1080/07315724.2001.10719060

文献信息

• Pd‐Catalyzed Cross‐Coupling of Alkylzirconocenes and Aryl Chlorides
  作者：Binyang Jiang、Shi‐Liang Shi

  DOI：10.1002/cjoc.202200132

  日期：2022.8

  perspective yet rarely exploited partners in transition-metal catalyzed cross-coupling reaction. The notoriously low nucleophilicity of alkylzirconocenes and the potential β-H elimination restrict their application in cross-coupling. Herein, we report the first Pd-catalyzed aryl-alkyl cross-coupling of alkylzirconocenes and aryl halides. A commercially available N-heterocyclic carbene (IPr) as the ligand

  烷基锆茂很容易通过烯烃与 Schwartz 试剂的氢化锆反应制备，在过渡金属催化的交叉偶联反应中是前景广阔但很少开发的伙伴。众所周知，烷基锆茂的低亲核性和潜在的 β-H 消除限制了它们在交叉偶联中的应用。在此，我们报告了烷基锆茂和芳基卤化物的第一个 Pd 催化的芳基-烷基交叉偶联。市售的N-杂环卡宾 (IPr) 作为钯催化剂的配体对于实现具有挑战性的过程至关重要。这种温和的协议不需要碱添加剂，并且可以容忍具有各种官能团和杂环的两个耦合伙伴的广泛范围。而且，末端和内烯烃都适用，后者经过“链式行走”，独家提供末端偶联产物。初步机理研究揭示了一种催化剂前活化途径，并由于 NHC 配体的空间位阻抑制了 β-H 消除。
• Structure of .omega.-arylalkyl radicals: a carbon-13 CIDNP investigation
  作者：George A. Olah、V. V. Krishnamurthy、Brij P. Singh、Pradeep S. Iyer

  DOI：10.1021/jo00155a006

  日期：1983.4