2-(2,2,3-三甲基环戊-1-基)乙醛 | 4606-17-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 2-(2,2,3-三甲基环戊-1-基)乙醛
• 英文名称: Campholan-aldehyd
• 英文别名: 2-(2,2,3-trimethylcyclopent-1-yl)acetaldehyde；2-(2,2,3-trimethylcyclopentyl)acetaldehyde
• CAS: 4606-17-1
• 化学式: C₁₀H₁₈O
• 分子量: 154.252
• InChiKey: QHEPENBPYBTHHJ-UHFFFAOYSA-N

物化性质

• 沸点：
  200.0±9.0 °C(Predicted)
• 密度：
  0.847±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-(2,2,3-三甲基环戊-1-基)乙醛 、 丙醛 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 以83.8 g的产率得到2-methyl-4-(2,2,3-trimethylcyclopentyl)but-2-enal
  参考文献：
  名称：

  [EN] CYCLOPROPANATED SANDALWOOD TYPE COMPOUNDS
  [FR] COMPOSÉS DE TYPE BOIS DE SANTAL CYCLOPROPANÉ

  摘要：

  The invention is in the field of fragrances and relates to novel fragrance compounds according to general formula (I) derived from campholenic aldehyde with a sandalwood-based note and improved acid stabilities. Furthermore, the present invention also relates to fragrance compositions comprising one or more of the inventive compounds. Moreover, the invention relates to the use of these compounds or fragrance compositions as an odorant or for improving the fixation of a fragrance compound or a fragrance composition as well as for the preparation of a perfumed product. In addition, the present invention thus also refers to the use of said compounds or compositions for the preparation of a perfumed products as well as perfumed products as such.

  公开号：

  WO2022058595A1
• 作为产物：
  描述：

  2,2,3-三甲基-3-环戊烯-1-乙醛 在 钯 crude product 、 boric anhydride 、 2,6,6-三甲基双环[3.1.1]庚烷-3-酮 作用下， 50.0~60.0 ℃ 、55.15 MPa 条件下， 生成 2-(2,2,3-三甲基环戊-1-基)乙醛
  参考文献：
  名称：

  Multi-substituted tetrahydrofurans and tetrahydropyrans

  摘要：

  新的香气组合物，其特征是含有从以下组中选择的一个或多个化合物：结构式1或2的四氢呋喃，或结构式3的四氢吡喃。其中，R可以是无环的，即至少有四个碳原子的链，在链中至少有三个甲基基团，或者是环状的，即5-8个碳原子的环，在环上至少有两个甲基基团，或者是双环的，即两个碳环，每个环之间有5-8个碳原子相互融合，在环上至少有两个甲基基团，其中R1=CH3或更高的烷基，R2=H，CH3或更高的烷基，R3=H或CH3，R4和R5=H，CH3或更高的烷基。

  公开号：

  US05665696A1

文献信息

• Multi-substituted tetrahydrofurans
  申请人：Givaudan-Roure Corporation

  公开号：US05510326A1

  公开（公告）日：1996-04-23

  Novel odorant compositions which are characterized by a content of one or more compounds selected from the group consisting of tetrahydrofurans of structures 1 or 2, or tetrahydropyrans of structure 3. ##STR1## wherein R can be an acyclic, where acyclic refers to a chain of at least four carbon atoms substituted with at least three methyl groups in the chain, carbocyclic, where carbocyclic refers to a ring of 5-8 carbon atoms, and with at least two methyl groups on the ring, or bicyclic where bicyclic refers to two carbon rings, each ring having between 5-8 carbon atoms fused together, substituted with at least two methyl groups, and where R.sub.1 .dbd.CH.sub.3, or higher alkyl group, R.sub.2 .dbd.H, CH.sub.3, or higher alkyl group, R.sub.3 .dbd.H, or CH.sub.3, R.sub.4 and R.sub.5 .dbd.H, CH.sub.3, or higher alkyl group.

  新的气味成分，其特点是含有从以下组成的化合物中选择的一个或多个化合物，该组成包括结构1或2的四氢呋喃，或者结构3的四氢吡喃。其中R可以是非环状的，非环状指的是至少有四个碳原子的链，在链中至少有三个甲基基团，或者是碳环状的，碳环状指的是由5-8个碳原子组成的环，并且环上至少有两个甲基基团，或者是双环状的，双环状指的是两个碳环，每个环之间有5-8个碳原子相互融合，上面至少有两个甲基基团，其中R.sub.1 = CH3，或者更高的烷基基团，R.sub.2 = H，CH3，或者更高的烷基基团，R.sub.3 = H，或者CH3，R.sub.4和R.sub.5 = H，CH3，或者更高的烷基基团。
• Derivatives of dihydrocampholenic aldehyde
  申请人：Givaudan-Roure Corporation

  公开号：US05288701A1

  公开（公告）日：1994-02-22

  The invention concerns novel odorants, namely derivatives of dihydrocampholenic aldehyde having the formula ##STR1## wherein R is ##STR2## one of the dotted lines in each of (a) and (b) represents an additional bond, and, R.sup.1, R.sup.2 and R.sup.3 are selected from the group consisting of hydrogen and alkyl groups of from one to four carbon atoms, with the proviso that R.sup.3 is present only when the additional bond is between the carbon atoms designated as .beta. and .gamma.. The invention also concerns odorant compositions containing the dihydrocampholenic aldehyde derivatives and methods for making same.

  本发明涉及新的气味剂，即二氢香叶醛衍生物，其具有以下结构式：##STR1## 其中，R是##STR2## (a)和(b)中的虚线之一表示额外的键，R.sup.1、R.sup.2和R.sup.3选自氢和由1至4个碳原子组成的烷基，但R.sup.3仅在额外的键位于指定为.beta.和.gamma.的碳原子之间时存在。本发明还涉及含有二氢香叶醛衍生物的气味剂组合物以及制备方法。
• Organic Compounds
  申请人：Bajgrowicz Jerzy A.

  公开号：US20100069508A1

  公开（公告）日：2010-03-18

  Described are 2,2,3-trimethylcyclopentane derivatives of formula 1 wherein R 1 is methyl or ethyl; and R 2 is hydrogen, methyl or ethyl. The invention furthermore relates to a method of their production a to fragrance compositions comprising them.

  本发明涉及公式1的2,2,3-三甲基环戊烷衍生物，其中R1为甲基或乙基；R2为氢、甲基或乙基。此外，本发明还涉及一种制备它们的方法以及包含它们的香料组合物。
• Derivatives of dihydro campholenic aldehyde
  申请人：GIVAUDAN-ROURE (INTERNATIONAL) S.A.

  公开号：EP0466019A2

  公开（公告）日：1992-01-15

  The invention relates to novel odorants, namely derivatives of dihydro campholenic aldehyde. In particular, the invention is concerned with the compounds of the formula wherein R is and R¹, R², R³ are hydrogen or C₁₋₄-alkyl, and one of the dotted lines in a) and b) represents an additional bond, and R³ is present in case of β,γ-insaturation only.

  本发明涉及新型气味剂，即二氢樟脑烯醛的衍生物。 本发明尤其涉及式如下的化合物 式中 R 是 和 R¹、R²、R³ 是氢或 C₁₋₄-烷基，且 a) 和 b) 中的虚线之一代表附加键，R³ 仅在β,γ-饱和时存在。
• Solvent-free allylic oxidation of alkenes with O2 mediated by Fe- and Cr-MIL-101
  作者：Igor Y. Skobelev、Alexander B. Sorokin、Konstantin A. Kovalenko、Vladimir P. Fedin、Oxana A. Kholdeeva

  DOI：10.1016/j.jcat.2012.11.003

  日期：2013.2

  Catalytic properties of Fe-MIL-101 and Cr-MIL-101 metal-organic frameworks in the solvent-free oxidation of cyclohexene and alpha-pinene with molecular oxygen have been explored. Both catalysts allow alkene oxidation under mild conditions (1 bar O-2, 40-60 degrees C) and afford allylic oxidation products. The nature of catalysis and the product distribution strongly depend on the nature of the transition metal. Cr-MIL-101 behaves as truly heterogeneous catalyst to give predominantly alpha,beta-unsaturated ketones. Catalysis over Fe-MIL-101 has true heterogeneous nature only at 40 degrees C, producing mainly 2-cyclohexene-1-ol. At 50-60 degrees C, iron leaching into solution occurs, leading to cyclohexenyl hydroperoxide as the major product. Under optimal conditions, both catalysts can be reused several times without suffering a loss of the catalytic properties. Rate-retarding and rate-accelerating effects of inhibitors and initiators, respectively, indicate radical chain mechanism. Different pathways for transformation of hydroperoxide have been suggested to rationalize the observed differences in the reaction selectivities over Cr- and Fe-MIL-101. (c) 2012 Elsevier Inc. All rights reserved.