7-phenylheptyl iodide | 51526-16-0

• 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: 7-phenylheptyl iodide
• 英文别名: 1-iodo-7-phenyl-heptane；1-Jod-7-phenyl-heptan；(7-iodoheptyl)benzene；1-Iodo-7-phenylheptane；7-iodoheptylbenzene
• CAS: 51526-16-0
• 化学式: C₁₃H₁₉I
• 分子量: 302.198
• InChiKey: NQVOWCZWXJMQFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  14
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  7-phenylheptyl iodide 在 叔丁基锂 、 磺酰氯 作用下， 以 乙醚 、 正己烷 、 正戊烷 为溶剂， 反应 1.17h， 以20%的产率得到7-phenylheptane-1-sulfonyl chloride
  参考文献：
  名称：

  Sulfonyl Fluoride Inhibitors of Fatty Acid Amide Hydrolase

  摘要：

  Sulfonyl fluorides are known to inhibit esterases. Early work, from our laboratory has identified hexadecyl sulfonylfluoride (AM374) as a potent in vitro and in vivo inhibitor of fatty acid amide hydrolase (FAAH). We now report on later generation sulfonyl fluoride analogs that exhibit potent and selective inhibition of FAAH. Using recombinant rat and human FAAH, we show that 5-(4-hydroxyphenyl)pentanesulfonyl fluoride (AM3506) has similar inhibitory activity for both the rat and the human enzyme, while dilution assays and mass spectrometry analysis suggest that the compound is a covalent modifier for FAAH and inhibits its action in an irreversible manner. Our SAR results are highlighted by molecular docking of key analogs.

  DOI：

  10.1021/jm301205j
• 作为产物：
  描述：

  7-苯基庚酸 在 咪唑 、 lithium aluminium tetrahydride 、 碘 、 三苯基膦 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 1.58h， 生成 7-phenylheptyl iodide
  参考文献：
  名称：

  Empirical Guidelines for the Development of Remote Directing Templates through Quantitative and Experimental Analyses

  摘要：

  DOI：

  10.1021/jacs.1c12654

文献信息

• One-pot, one- and multi-carbon homologation of alkyl halides; reaction of grignard reagents with chloroiodomethane
  作者：Roger C. Hahn、Jan Tompkins

  DOI：10.1016/s0040-4039(00)94397-1

  日期：——

  Reaction of a Grignard reagent (RMgX) with chloroiodomethane affords the corresponding iodide (RI) and, depending on R, solvent, and temperature, iodides which are one-carbon and multicarbon homologs of RX. Allyl iodide but not allyl bromide can be monohomologated by the combined action of chloroiodomethane and isopropyl Grignard.

  格氏试剂（RMgX）与氯碘甲烷反应，得到相应的碘化物（RI），根据R，溶剂和温度的不同，碘化物是RX的一碳和多碳同系物。烯丙基碘可通过氯碘甲烷和异丙基格氏试剂的共同作用而单烯丙基化，而烯丙基溴则不能。
• Method for producing an aromatic compound having an alkyl group with at least three carbon atoms
  申请人：TORAY INDUSTRIES, INC.

  公开号：EP0985649A2

  公开（公告）日：2000-03-15

  Aromatic compounds having an alkyl group with at least 3 carbon atoms are produced in a process comprising at least one of the following steps: (1) a step of contacting a starting material that contains an aromatic compound having a branched alkyl group with at least 3 carbon atoms, with a zeolite-containing catalyst in a liquid phase in the presence of hydrogen therein, thereby changing the position of the carbon atoms of the alkyl group bonding to the aromatic ring of the compound; (2) a step of contacting a starting material that contains an aromatic compound having a branched alkyl group with at least 3 carbon atoms, with a catalyst containing zeolite and containing rhenium and/or silver, in a liquid phase, thereby changing the position of the carbon atoms of the alkyl group bonding to the aromatic ring of the compound; (3) a step of contacting a halogenated aromatic compound having an alkyl group with at least 3 carbon atoms, with an acid-type catalyst, thereby isomerizing the compound; and (4) a step of treating a mixture of isomers of an aromatic compound having an alkyl group with at least 3 carbon atoms, with a zeolite adsorbent that contains at least one exchangable cation selected from alkali metals, alkaline earth metals, lead, thallium and silver, thereby separating a specific isomer from the isomer mixture through adsorption.

  具有至少 3 个碳原子烷基的芳香族化合物的生产工艺至少包括以下一个步骤： (1) 将含有至少 3 个碳原子的支链烷基的芳香族化合物的起始原料在液相中与含沸石的催化剂在氢存在的情况下接触，从而改变烷基的碳原子与化合物的芳香环键合的位置； (2) 将含有芳香族化合物的起始原料与含沸石和含铼和/或银的催化剂在液相中接触，该芳香族化合物具有至少 3 个碳原子的支链烷基，从而改变烷基碳原子与化合物芳香环键合的位置； (3) 将具有至少 3 个碳原子的烷基的卤代芳香族化合物与酸型催化剂接触，从而使该化合物异构化；以及 (4) 用沸石吸附剂处理具有至少 3 个碳原子的烷基的芳香族化合物的异构体混合物，该沸石吸附剂含有至少一种选自碱金属、碱土金属、铅、铊和银的可交换阳离子，从而通过吸附从异构体混合物中分离出特定的异构体。
• v. Braun, Chemische Berichte, 1911, vol. 44, p. 2872
  作者：v. Braun

  DOI：——

  日期：——
• HAHN, ROGER C.;TOMPKINS, JAN, TETRAHEDRON LETT., 31,(1990) N, C. 937-940
  作者：HAHN, ROGER C.、TOMPKINS, JAN

  DOI：——

  日期：——
• EP0643682A4
  申请人：——

  公开号：EP0643682A4

  公开（公告）日：1995-06-07