(1S*,2S*)-2-(1(R*)-1-Phenylethyl)cyclopropylmethanol

• 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: (1S*,2S*)-2-(1(R*)-1-Phenylethyl)cyclopropylmethanol
• 英文别名: [(1S,2S)-2-[(1R)-1-phenylethyl]cyclopropyl]methanol
• 化学式: C₁₂H₁₆O
• 分子量: 176.258
• InChiKey: JSKYTPJTMAQWKY-WCQGTBRESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  (1S*,2S*)-2-(1(R*)-1-Phenylethyl)cyclopropylmethanol 在 氨 、 lithium 作用下， 以 叔丁醇 为溶剂， 以72%的产率得到[(1S,2S)-2-((R)-1-Cyclohexa-1,4-dienyl-ethyl)-cyclopropyl]-methanol
  参考文献：
  名称：

  Stereoselective Synthesis of Cyclopropanes Bearing Adjacent Stereocenters

  摘要：

  DOI：

  10.1055/s-1999-3507
• 作为产物：
  描述：

  4-Phenylpent-2-yn-1-ol 在 copper(I) bromide Sm(Hg) 、 1,2-二溴乙烷 、 lithium bromide 、 锌 作用下， 以 四氢呋喃 、 异丙醇 为溶剂， 生成 (1S*,2S*)-2-(1(R*)-1-Phenylethyl)cyclopropylmethanol
  参考文献：
  名称：

  Stereoselective oxymercuration of cyclopropylcarbinols with anchimeric assistance by aromatic groups

  摘要：

  Cyclopropylcarbinols bearing an adjacent stereocenter substituted by a phenyl group undergo anchimerically assisted mercurations, leading after reductive demercuration to oxygenated heterocycles or acyclic alcohols depending on the relative configurations. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00069-2

文献信息

• NOVEL COMPOUND, AND FLAVOR AND/OR FRAGRANCE COMPOSITION CONTAINING SAID COMPOUND
  申请人：TAKASAGO INTERNATIONAL CORPORATION

  公开号：US20170029358A1

  公开（公告）日：2017-02-02

  The present invention provides a compound represented by general formula (1). (In the formula, R 1 represents an alkyl group having 2 to 9 carbon atoms, an alkenyl group having 2 to 9 carbon atoms, a cyclic alkyl group having 3 to 10 carbon atoms which may have a substituent, or a phenyl group which may have a substituent; R 2 represents an alkyl group having 1 to 3 carbon atoms; R 3 to R 5 independently represent a hydrogen atom, or an alkyl group having 1 to 3 carbon atoms; R 6 represents an alkyl group having 1 to 5 carbon atoms, an alkenyl group having 2 to 5 carbon atoms, a cyclic alkyl group having 3 to 10 carbon atoms which may have a substituent, or an alkoxy group having 1 to 5 carbon atoms; n represents 0 or 1; and the wavy line represents a cis form, a trans form or a mixture of a cis form and a trans form.)

  本发明提供了一种由通式（1）表示的化合物。（在该式中，R1代表具有2到9个碳原子的烷基基团，具有2到9个碳原子的烯基基团，具有3到10个碳原子的环烷基基团，可能具有取代基，或者可能具有取代基的苯基; R2代表具有1到3个碳原子的烷基基团; R3到R5独立地代表氢原子，或者具有1到3个碳原子的烷基基团; R6代表具有1到5个碳原子的烷基基团，具有2到5个碳原子的烯基基团，具有3到10个碳原子的环烷基基团，可能具有取代基，或者具有1到5个碳原子的烷氧基; n代表0或1; 波浪线表示顺式、反式或顺反混合物。）
• NOVEL COMPOUND, AND FLAVOR COMPOSITION CONTAINING SAID COMPOUND
  申请人：Takasago International Corporation

  公开号：EP3135663A1

  公开（公告）日：2017-03-01

  The present invention provides a compound represented by general formula (1). (In the formula, R1 represents an alkyl group having 2 to 9 carbon atoms, an alkenyl group having 2 to 9 carbon atoms, a cyclic alkyl group having 3 to 10 carbon atoms which may have a substituent, or a phenyl group which may have a substituent; R2 represents an alkyl group having 1 to 3 carbon atoms; R3 to R5 independently represent a hydrogen atom, or an alkyl group having 1 to 3 carbon atoms; R6 represents an alkyl group having 1 to 5 carbon atoms, an alkenyl group having 2 to 5 carbon atoms, a cyclic alkyl group having 3 to 10 carbon atoms which may have a substituent, or an alkoxy group having 1 to 5 carbon atoms; n represents 0 or 1; and the wavy line represents a cis form, a trans form or a mixture of a cis form and a trans form.)

  本发明提供了通式（1）所代表的化合物。 (式中，R1 代表具有 2 至 9 个碳原子的烷基、具有 2 至 9 个碳原子的烯基、具有 3 至 10 个碳原子的环状烷基，该环状烷基可能具有取代基，或可能具有取代基的苯基；R2 代表具有 1 至 3 个碳原子的烷基；R3 至 R5 独立地代表氢原子或具有 1 至 3 个碳原子的烷基；R6 代表具有 1 至 5 个碳原子的烷基、具有 2 至 5 个碳原子的烯基、具有 3 至 10 个碳原子且可能具有取代基的环状烷基或具有 1 至 5 个碳原子的烷氧基；n 代表 0 或 1；波浪线代表顺式、反式或顺式与反式的混合物。)
• Compound, and flavor and/or fragrance composition containing said compound
  申请人：TAKASAGO INTERNATIONAL CORPORATION

  公开号：US10407378B2

  公开（公告）日：2019-09-10

  The present invention provides a compound represented by general formula (1). (In the formula, R1 represents an alkyl group having 2 to 9 carbon atoms, an alkenyl group having 2 to 9 carbon atoms, a cyclic alkyl group having 3 to 10 carbon atoms which may have a substituent, or a phenyl group which may have a substituent; R2 represents an alkyl group having 1 to 3 carbon atoms; R3 to R5 independently represent a hydrogen atom, or an alkyl group having 1 to 3 carbon atoms; R6 represents an alkyl group having 1 to 5 carbon atoms, an alkenyl group having 2 to 5 carbon atoms, a cyclic alkyl group having 3 to 10 carbon atoms which may have a substituent, or an alkoxy group having 1 to 5 carbon atoms; n represents 0 or 1; and the wavy line represents a cis form, a trans form or a mixture of a cis form and a trans form.)

  本发明提供了通式（1）所代表的化合物。 (式中，R1 代表具有 2 至 9 个碳原子的烷基、具有 2 至 9 个碳原子的烯基、具有 3 至 10 个碳原子的环状烷基，该环状烷基可能具有取代基，或可能具有取代基的苯基；R2 代表具有 1 至 3 个碳原子的烷基；R3 至 R5 独立地代表氢原子或具有 1 至 3 个碳原子的烷基；R6 代表具有 1 至 5 个碳原子的烷基、具有 2 至 5 个碳原子的烯基、具有 3 至 10 个碳原子且可能具有取代基的环状烷基或具有 1 至 5 个碳原子的烷氧基；n 代表 0 或 1；波浪线代表顺式、反式或顺式与反式的混合物。)
• Directing Effect of a Neighboring Aromatic Group in the Cyclopropanation of Allylic Alcohols
  作者：Janine Cossy、Nicolas Blanchard、Christophe Meyer

  DOI：10.1021/jo9806815

  日期：1998.8.1
• Stereoselective oxymercuration of cyclopropylcarbinols with anchimeric assistance by aromatic groups
  作者：Janine Cossy、Nicolas Blanchard、Christophe Meyer

  DOI：10.1016/s0040-4039(02)00069-2

  日期：2002.3

  Cyclopropylcarbinols bearing an adjacent stereocenter substituted by a phenyl group undergo anchimerically assisted mercurations, leading after reductive demercuration to oxygenated heterocycles or acyclic alcohols depending on the relative configurations. (C) 2002 Elsevier Science Ltd. All rights reserved.