(1R,6S)-(-)-2,2,6-trimethylcyclohexyl methyl ketone | 52842-33-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1R,6S)-(-)-2,2,6-trimethylcyclohexyl methyl ketone
• 英文别名: trans-1-(2,2,6-Trimethylcyclohexyl)ethanone；1-[(1R,6S)-2,2,6-trimethylcyclohexyl]ethanone
• CAS: 52842-33-8
• 化学式: C₁₁H₂₀O
• 分子量: 168.279
• InChiKey: LGEFCQRTSXYJAD-WPRPVWTQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 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：

  (1R,6S)-(-)-2,2,6-trimethylcyclohexyl methyl ketone 、 三氟化硼 、 乙酸酐 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Veichenriechstoffe。28. Mitteilung。Übereinige氧-四氢酮

  摘要：

  Zum Vergleich mit aust de aus dem HarnträchtigerStuten isolierten Verbindungenwürdendie羰基-古普在α'-，β'-oder4-Stellung desJonon-Gerüstes和sogestie einige weitere Heront的羰基-古鲁皮中。Zur Charakterisierungführteman erhaltenen Ketone in Phenyl-semiearbazoneüber，deren Absorptionsspektra im Ultraviolett aufgenommen wurden。

  DOI：

  10.1002/hlca.19480310734
• 作为产物：
  描述：

  (-)-香茅醛 在 乙酸异丙烯酯 、 jones reagent 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 丙酮 、 甲苯 为溶剂， 反应 47.5h， 生成 (1R,6S)-(-)-2,2,6-trimethylcyclohexyl methyl ketone
  参考文献：
  名称：

  旋光性反式-2,2,6-三甲基环己基甲基酮及其相关化合物的合成与气味

  摘要：

  描述了使用酮烯醇酯完成的以阳离子烯烃环化为特征的合成以及新型（1 R，6 S）-和（1 S，6 R）-2,2,6-三甲基环己基甲基酮（5）的气味。（E）-（1 R，6 S）-和（E）-（1 S，6 R）-1-（2,2,6-三甲基环己基）-2-丁烯-1-一（6）和（1 R，6 S）-2,2,6-三甲基环己基羧酸乙酯（7），从（1 R还描述了，（6 S）-和（1 S，6 R）-5。

  DOI：

  10.1016/s0040-4020(02)01562-4

文献信息

• (1S,6R)-2,2,6-Trimethylcyclohexyl methyl ketone and/or (1R,6S)-2,2,6-trimethylcyclohexyl methyl ketone, process for producing the same, and perfume composition containing the same
  申请人：——

  公开号：US20020042356A1

  公开（公告）日：2002-04-11

  Trans-2,2,6-trimethylcyclohexyl methyl ketone, including (1S,6R)-2,2,6-trimethylcyclohexyl methyl ketone represented by the formula (1a): 1 and (1R,6S)-2,2,6-trimethylcyclohexyl methyl ketone represented by the formula (1b): 2 are useful components in a perfume composition. A process for producing the same is also described. A unique eucalyptus, mint-like and white floral perfume material is provided using the ketone compounds disclosed in the present invention. The process of the present invention produces the optically active ketone compounds having optical purity up to at least 98.0% e.e.

  2,2,6-三甲基环己基甲基酮，包括由化学式表示的(1S,6R)-2,2,6-三甲基环己基甲基酮（1a）和由化学式表示的(1R,6S)-2,2,6-三甲基环己基甲基酮（1b）是香水配方中有用的成分。本文还描述了一种生产这些成分的方法。使用本发明中披露的酮化合物提供了一种独特的桉树、薄荷和白色花香调的香料原料。本发明的方法产生光学活性的酮化合物，其光学纯度至少可达98.0% e.e.
• Isomer composition containing optically active ethyl trans-2,2,6-trimethylcyclohexylcarboxylate and fragrance composition containing the isomer composition
  申请人：Takasago International Corporation

  公开号：US20030207789A1

  公开（公告）日：2003-11-06

  A geometrical isomer composition excellent in odor and in chemical resistance, which is applicable to a base material containing a strongly alkaline chemical or a strongly acidic chemical, which can suppress the deterioration with time and the color change of the base material in the case that the material is exposed to light, and which also have highly palatable and unique fruity floral fragrance. The composition is produced by mixing 93 to 99% by weight of optically active ethyl trans-2,2,6-trimethylcyclohexylcarboxylate represented by Formula-1 or a mixture thereof and 7 to 1% by weight of optically active ethyl cis-2,2,6-trimethylcyclohexylcarboxylate represented by Formula-2 or a mixture thereof, respectively. 1

  本发明涉及一种几何异构体组成物，其气味和化学耐性均优异，适用于含有强碱性化学物质或强酸性化学物质的基材料，可以抑制材料暴露在光线下时的时间劣化和颜色变化，并具有高度可口和独特的果香花香味。该组成物是通过混合93至99重量％的由式-1表示的光学活性乙基顺-2,2,6-三甲基环己基羧酸乙酯或其混合物和7至1重量％的由式-2表示的光学活性乙基顺-2,2,6-三甲基环己基羧酸乙酯或其混合物制成的。
• Isomer composition excellent in chemical resistance containing optically active trans-1-(2,2,6-trimethylcyclohexyl)-2-buten-1-one and fragrance compositions containing the isomer composition
  申请人：Takasago International Corporation

  公开号：US20030207790A1

  公开（公告）日：2003-11-06

  A geometrical isomer composition excellent in odor and in chemical resistance, which is applicable to a base material containing a strongly alkaline chemical or a strongly acidic chemical, which can suppress the deterioration with time and the color change of the base material in the case that the material is exposed to light, and which also have highly tasteful and unique fruity floral fragrance. A geometrical isomer composition containing 93 to 99% by weight of optically active trans-1-(2,2,6-trimethylcyclohexyl)-2-buten-1-one represented by Formula-1 or a mixture thereof and 7 to 1% by weight of optically active cis-1-(2,2,6-trimethylcyclohexyl)-2-buten-1-one represented by Formula-2 or a mixture thereof is, respectively, used. 1

  一种几何异构体组成物，具有优异的气味和化学耐受性，适用于含有强碱性化学物质或强酸性化学物质的基材料，能够抑制基材料在光照下的时间劣化和颜色变化，并且具有高度美味和独特的果香花香味。该几何异构体组成物分别含有93至99%重量的光学活性反式-1-(2,2,6-三甲基环己基)-2-丁烯-1-酮（化学式1）或其混合物，以及7至1%重量的光学活性顺式-1-(2,2,6-三甲基环己基)-2-丁烯-1-酮（化学式2）或其混合物。
• (1S,6R)- And/or (1R,6S)-2,2,6-trimethylcyclohexyl methyl ketone, process for producing the same, and perfume composition containing the same
  申请人：Takasago International Corporation

  公开号：EP1162191A3

  公开（公告）日：2002-09-04

  Trans-2,2,6-trimethylcyclohexyl methyl ketone, which is the (1S,6R)-2,2,6-trimethylcyclohexyl methyl ketone represented by the formula (1a): and/or (1R,6S)-2,2,6-trimethylcyclohexyl methyl ketone represented by the formula (1b): and a process for producing the same. A unique, novel eucalyptus, mint-like and white floral perfume material can be provided using the ketone compounds disclosed in the present invention as well by the production process disclosed therein.

  反式-2,2,6-三甲基环己基甲基酮，即式(1a)代表的(1S,6R)-2,2,6-三甲基环己基甲基酮：和/或式(1b)代表的(1R,6S)-2,2,6-三甲基环己基甲基酮：及其生产工艺。使用本发明中公开的酮化合物以及其中公开的生产工艺，可以提供一种独特、新颖的桉树、薄荷和白花香水材料。
• Isomer composition excellent in chemical resistance containing optically active trans-1(2,2,6-trimethylcyclohexyl)-2-buten-1-one and fragrance composition containing the isomer composition
  申请人：Takasago International Corporation

  公开号：EP1347036A2

  公开（公告）日：2003-09-24

  A geometrical isomer composition excellent in odor and in chemical resistance, which is applicable to a base material containing a strongly alkaline chemical or a strongly acidic chemical, which can suppress the deterioration with time and the color change of the base material in the case that the material is exposed to light, and which also have highly tasteful and unique fruity floral fragrance. A geometrical isomer composition containing 93 to 99% by weight of optically active trans-1-(2,2,6-trimethylcyclohexyl)-2-buten-1-one represented by Formula-1 or a mixture thereof and 7 to 1% by weight of optically active cis-1-(2,2,6-trimethylcyclohexyl)-2-buten-1-one represented by Formula-2 or a mixture thereof is, respectively, used.

  一种气味和耐化学性极佳的几何异构体组合物，适用于含有强碱性化学物质或强酸性化学物质的基料，在基料受光照射的情况下，可抑制基料随时间的推移而变质和变色，并具有高品味和独特的花果香味。使用的几何异构体组合物分别含有以重量计 93%至 99%的光学活性反式-1-(2,2,6-三甲基环己基)-2-丁烯-1-酮（以式-1 表示）或其混合物，以及以重量计 7%至 1%的光学活性顺式-1-(2,2,6-三甲基环己基)-2-丁烯-1-酮（以式-2 表示）或其混合物。