2-iodo-6-isopropylphenol | 600738-63-4

• 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: 2-iodo-6-isopropylphenol
• 英文别名: 2-iodo-6-propan-2-ylphenol
• CAS: 600738-63-4
• 化学式: C₉H₁₁IO
• 分子量: 262.09
• InChiKey: UJRCQRNEDYXSSE-UHFFFAOYSA-N

物化性质

• 沸点：
  230.0±28.0 °C(Predicted)
• 密度：
  1.637±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-iodo-6-isopropylphenol 在 吡啶 、 叔丁基锂 作用下， 以 乙醚 、 正戊烷 为溶剂， 反应 17.67h， 生成 (S)-2'-isopropyl-6'-[2''-(2''',6''',6'''-trimethyl-2'''-cyclohexenyl)ethyl]phenyl acetate
  参考文献：
  名称：

  Asymmetric synthesis of abietane diterpenoids via B-alkyl Suzuki–Miyaura coupling. Formal total asymmetric synthesis of 12-deoxyroyleanone and cryptoquinone

  摘要：

  A convergent synthetic strategy for abietane diterpenoids via B-alkyl Suzuki-Miyaura coupling and Lewis acid-mediated cyclization reactions is established. Asymmetric total synthesis of 12-deoxyroyleanone, an antileishmanial diterpene, is described. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.11.072
• 作为产物：
  描述：

  异丙苯酚 在 N-碘代丁二酰亚胺 作用下， 以 二硫化碳 为溶剂， 以16%的产率得到2-iodo-6-isopropylphenol
  参考文献：
  名称：

  Asymmetric synthesis of abietane diterpenoids via B-alkyl Suzuki–Miyaura coupling. Formal total asymmetric synthesis of 12-deoxyroyleanone and cryptoquinone

  摘要：

  A convergent synthetic strategy for abietane diterpenoids via B-alkyl Suzuki-Miyaura coupling and Lewis acid-mediated cyclization reactions is established. Asymmetric total synthesis of 12-deoxyroyleanone, an antileishmanial diterpene, is described. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.11.072

文献信息

• Synthesis of (−)-Piperitylmagnolol Featuring <i>ortho</i>-Selective Deiodination and Pd-Catalyzed Allylation
  作者：Atsushi Ikoma、Narihito Ogawa、Daiki Kondo、Hiroki Kawada、Yuichi Kobayashi

  DOI：10.1021/acs.orglett.6b00706

  日期：2016.5.6

  A 1,4-addition strategy using an enone and a copper reagent was studied for the synthesis of (−)-piperitylmagnolol. A MOM-protected biphenol copper reagent was added to BF3·OEt2-activated 4-isopropylcyclohexenone, whereas 1,4-addition of protected monophenol reagents possessing an allyl group was found to be unsuccessful. The allyl group was later attached to the p-,p′-diiodo-biphenol ring by Pd-catalyzed

  研究了使用烯酮和铜试剂的1，4-加成策略，用于合成（-）-哌啶基厚朴酚。将MOM保护的双酚铜试剂添加到BF 3 ·OEt 2活化的4-异丙基环己烯酮中，而发现未成功添加1,4-具有烯丙基的保护单酚试剂。烯丙基随后通过Pd催化的与烯丙基硼酸酯的偶合而连接至p-，p′-二碘代-双酚环。上述碘化物使用新的方法，用于合成邻的脱碘-选择性ø - ，p -diiodophenols。
• Fluorine-substituted alkyl phenol compounds and their uses
  申请人：——

  公开号：US20030176513A1

  公开（公告）日：2003-09-18

  The present invention relates to the synthesis of fluorinated forms of alkyl phenol compounds and their subsequent use as pharmaceutical agents. More specifically, alkyl phenol compounds are fluorinated to increase compound volatility such that the compound may be administered to a mammal, such as a human being, by inhalation. The invention also provides an inhaler (or vaporizer), that can be used for administration of the volatile derivatives of fluorine-substituted alkyl phenol compound. Further, different derivatives of fluorine-substituted alkyl phenol compound can be also administered by other routes as described in this document.

  本发明涉及合成氟代烷基苯酚化合物的方法，以及它们作为药物的后续应用。更具体地说，氟代烷基苯酚化合物被氟化，以增加化合物的挥发性，从而可以通过吸入的方式给哺乳动物，如人类进行治疗。本发明还提供了一种吸入器（或雾化器），可用于给氟代烷基苯酚化合物的挥发衍生物进行治疗。此外，本文所述的不同氟代烷基苯酚化合物的衍生物也可以通过其他途径进行治疗。
• 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same
  申请人：Tsukamoto Yoshihisa

  公开号：US20050037925A1

  公开（公告）日：2005-02-17

  A compound represented by the formula: [wherein R 1 represents a hydrogen atom, a halogen, atom, alkyl group, etc., R 2 represents a hydrogen atom, a halogen atom, alkyl group, etc., R 3 , R 4 , R 5 , R 6 and R 7 each independently represent a hydrogen atom, a halogen atom, a substitutable alkyl group, a substitutable alkenyl group, alkynyl group, a substituteable cycloalkyl group, etc., or R 3 , R 4 , R 5 , R 6 and R 7 may form a ring which may be substituted, which is formed by the adjacent two of them with carbon atoms to which the respective substituents are bonded, m and n each independently represent 0 or 1.] a salt thereof, an ester derivative thereof and an agricultural chemical containing the same as an effective ingredient, and a herbicidal composition containing the compound and a second herbicidally active compound as effective ingredients.

  一种化合物由以下式子表示：[其中R1代表氢原子，卤素原子，烷基团等，R2代表氢原子，卤素原子，烷基团等，R3，R4，R5，R6和R7各自独立地代表氢原子，卤素原子，可替换的烷基团，可替换的烯基团，炔基团，可替换的环烷基团等，或R3，R4，R5，R6和R7可以形成一个环，该环可以被取代，该环由相邻的两个碳原子形成，这些碳原子与相应的取代基团相连，m和n各自独立地代表0或1。]其盐，酯衍生物及含有该化合物为有效成分的农药，以及含有该化合物和第二种草甘膦活性化合物为有效成分的除草剂组合物。
• 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same
  申请人：Tsukamoto Yoshihisa

  公开号：US20100041555A1

  公开（公告）日：2010-02-18

  A compound represented by the formula: [wherein R 1 represents a hydrogen atom, a halogen atom, alkyl group, etc., R 2 represents a hydrogen atom, a halogen atom, alkyl group, etc., R 3 , R 4 , R 5 , R 6 and R 7 each independently represent a hydrogen atom, a halogen atom, a substitutable alkyl group, a substitutable alkenyl group, alkynyl group, a substitutable cycloalkyl group, etc., or R 3 , R 4 , R 5 , R 6 and R 7 may form a ring which may be substituted, which is formed by the adjacent two of them with carbon atoms to which the respective substituents are bonded, m and n each independently represent 0 or 1.] a salt thereof, an ester derivative thereof and an agricultural chemical containing the same as an effective ingredient, and a herbicidal composition containing the compound and a second herbicidally active compound as effective ingredients.

  一种化合物，其化学式为：[其中R1代表氢原子、卤素原子、烷基等，R2代表氢原子、卤素原子、烷基等，R3、R4、R5、R6和R7各自独立地代表氢原子、卤素原子、可替换的烷基、可替换的烯基、炔基、可替换的环烷基等，或R3、R4、R5、R6和R7可形成一个环，该环可以被取代，由它们中的相邻两个碳原子形成，各自带有相应的取代基，m和n各自独立地代表0或1。]其盐、酯衍生物和含有该化合物作为有效成分的农药，以及含有该化合物和第二种除草活性化合物作为有效成分的除草剂组合物。
• FLUORINE-SUBSTITUTED ALKYL PHENOL COMPOUNDS AND THEIR USES
  申请人：Baker Max T.

  公开号：US20080312339A1

  公开（公告）日：2008-12-18

  The present invention relates to the synthesis of fluorinated forms of alkyl phenol compounds and their subsequent use as pharmaceutical agents. More specifically, alkyl phenol compounds are fluorinated to increase compound volatility such that the compound may be administered to a mammal, such as a human being, by inhalation. The invention also provides an inhaler (or vaporizer), that can be used for administration of the volatile derivatives of fluorine-substituted alkyl phenol compound. Further, different derivatives of fluorine-substituted alkyl phenol compound can be also administered by other routes as described in this document.

  本发明涉及合成氟代烷基酚化合物及其作为药物的后续使用。更具体地说，氟代烷基酚化合物被氟化以增加化合物的挥发性，使其可以通过吸入的方式被哺乳动物，如人类，给予。本发明还提供了一种吸入器（或蒸发器），可用于给予氟代烷基酚化合物的挥发衍生物。此外，本文所述的不同氟代烷基酚化合物的衍生物也可以通过其他途径给予。