Cyclopropanemethanol, alpha,1-dimethyl-2-(1-phenylethyl)- | 1778671-11-6

• 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: Cyclopropanemethanol, alpha,1-dimethyl-2-(1-phenylethyl)-
• 英文别名: 1-[1-methyl-2-(1-phenylethyl)cyclopropyl]ethanol
• CAS: 1778671-11-6
• 化学式: C₁₄H₂₀O
• 分子量: 204.31
• InChiKey: GOVFHSJWKJPKRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

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。）
• COMPOUND HAVING CYCLOPROPANE RING, AND FLAVOR AND/OR FRAGRANCE COMPOSITION CONTAINING SAME
  申请人：TAKASAGO INTERNATIONAL CORPORATION

  公开号：US20150353461A1

  公开（公告）日：2015-12-10

  Provided are a compound of formula (1), having a cyclopropane ring, which can impart a floral or citrus-like aroma and a flavor composition containing at least one compound of formula (1): wherein, R 1 , R 2 , R 3 and R 5 independently represent a hydrogen atom or an alkyl group having 1 to 3 carbon atoms, wherein at least two groups among R 1 , R 2 , R 3 and R 5 independently represent an alkyl group; R 4 represents a group selected from a formyl group, a hydroxymethyl group, a 1-hydroxy-1-ethyl group, a 1-hydroxy-1-propyl group, a 1-hydroxy-1-butyl group and a 2-hydroxy-1-propyl group; m represents 0 to 2; n represents 0 or 1; and a wavy line stands for a cis-configuration, a trans-configuration or a mixture of a cis-configuration and a trans-configuration with respect to position-2 on a cyclopropane ring.

  提供了一种具有环丙烷环的化合物，其可以赋予花香或柑橘类的香气，并且含有至少一个式（1）的化合物的风味组合物： 其中，R1、R2、R3和R5独立地表示氢原子或具有1到3个碳原子的烷基，其中至少两个在R1、R2、R3和R5之间的基独立地表示烷基；R4表示从甲酰基、羟甲基基团、1-羟基-1-乙基基团、1-羟基-1-丙基基团、1-羟基-1-丁基基团和2-羟基-1-丙基基团中选择的基团；m表示0到2；n表示0或1；而波浪线表示对于环丙烷环上的2号位置，具有顺式构型、反式构型或顺反混合构型。
• COMPOUND HAVING CYCLOPROPANE RING, AND FLAVOR COMPOSITION CONTAINING SAME
  申请人：Takasago International Corporation

  公开号：EP2985273A1

  公开（公告）日：2016-02-17

  The purpose of the present invention is to provide a compound having a cyclopropane ring, which can impart a floral or citrus-like aroma. The present invention provides a flavor composition containing at least one compound represented by formula (1). (In the formula, R1, R2, R3 and R5 independently represent a hydrogen atom or an alkyl group having 1 to 3 carbon atoms, wherein at least two groups among R1, R2, R3 and R5 independently represent an alkyl group; R4 represents a group selected from a formyl group, a hydroxymethyl group, a 1-hydroxy-1-ethyl group, a 1-hydroxy-1-propyl group, a 1-hydroxy-1-butyl group and a 2-hydroxy-1-propyl group; m represents 0 to 2; n represents 0 or 1; and a wavy line stands for a cis-configuration, a trans-configuration or a mixture of a cis-configuration and a trans-configuration with respect to position-2 on a cyclopropane ring.)

  本发明的目的是提供一种具有环丙烷环的化合物，它可以赋予花香或柑橘类香气。本发明提供了一种香料组合物，其中至少含有一种由式（1）代表的化合物。 (式中，R1、R2、R3 和 R5 独立地代表氢原子或具有 1 至 3 个碳原子的烷基，其中 R1、R2、R3 和 R5 中至少有两个基团独立地代表烷基；R4 代表选自甲酰基、羟甲基、1-羟基-1-乙基、1-羟基-1-丙基、1-羟基-1-丁基和 2-羟基-1-丙基的基团；m 代表 0 至 2；n 代表 0 或 1；波浪线代表环丙烷环上相对于位置-2 的顺式构型、反式构型或顺式构型与反式构型的混合物。)
• 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。)
• COMPOUND HAVING CYCLOPROPANE RING, AND FLAVOR AND/OR FRAGANCE COMPOSITION CONTAINING SAME
  申请人：Takasago International Corporation

  公开号：EP2985273B1

  公开（公告）日：2018-07-04