(E)-1-(2,6,6-三甲基-1-环己烯-1-基)戊-1-烯-3-酮 | 63429-28-7

• 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: (E)-1-(2,6,6-三甲基-1-环己烯-1-基)戊-1-烯-3-酮
• 英文名称: (4E)-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-4-penten-3-one
• 英文别名: 1E-(2,6,6-trimethyl-1-cyclohexenyl)-1-penten-3-one；1-Methyl-β-ionone；β-methylionone；1t-(2,6,6-trimethyl-cyclohex-1-enyl)-pent-1-en-3-one；1t-(2,6,6-Trimethyl-cyclohex-1-enyl)-pent-1-en-3-on；1t-(2.2.6-Trimethyl-cyclohexen-(6)-yl)-penten-(1)-on-(3)；beta-Methylionone；(E)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-one
• CAS: 63429-28-7；1322-71-0
• 化学式: C₁₄H₂₂O
• 分子量: 206.328
• InChiKey: LMWNGLDCJDIIBR-CMDGGOBGSA-N

物化性质

• 沸点：
  281℃[at 101 325 Pa]
• 密度：
  0.938[at 20℃]
• LogP：
  4.55 at 25℃
• 物理描述：
  colourless to yellow liquid
• 折光率：
  1.503-1.508
• 保留指数：
  1556.8

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 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：

  (E)-1-(2,6,6-三甲基-1-环己烯-1-基)戊-1-烯-3-酮 在 碘 作用下， 以 neat (no solvent) 为溶剂， 反应 0.08h， 以83%的产率得到6-ethyl-1,2,3,4-tetrahydro-1,1,6-trimethylnaphthalene
  参考文献：
  名称：

  Selective syntheses of substituted 6-alkyl-1,1-dimethyl-1,2,3,4-tetrahydronaphthalenes

  摘要：

  Beta-ionone is cyclized to 1,1,6-trimethyl-1,2,3,4-tetrahydronaphthalene in 80-95% yield. Selective derivatization at the 5- and/or 7-positions of 6-alkyl-1,1-dimethyl-1,2,3,4-tetrahydronaphthalenes was achieved by nitration, acylation, and reduction.

  DOI：

  10.1016/s0040-4020(01)86337-7
• 作为产物：
  描述：

  (4E,6Z)-7,11-dimethyl-dodeca-4,6,10-trien-3-one 以65%的产率得到
  参考文献：
  名称：

  NODA, PEREZ CARIDAD;DIAZ, GOMEZ MARITZA;QUINTERO, DIAZ MARIA JULIA;MAGRAN+, REV. CIENC. Y TECN., 6,(1988) N4, C. 19-23

  摘要：

  DOI：

文献信息

• Synthesis, olfactory evaluation and determination of the absolute configuration of the β- and γ-Iralia® isomers
  作者：Assem Barakat、Elisabetta Brenna、Claudio Fuganti、Stefano Serra

  DOI：10.1016/j.tetasy.2008.09.028

  日期：2008.10

  synthesis of the methyl-ionone isomers 6–9 is described. The enantiomers of the γ-isomers 8 and 9 are prepared by enzyme-mediated resolution of the corresponding 4-hydroxy derivatives followed by reductive elimination of the hydroxy group. The absolute configuration of the latter compound is determined by chemical correlation with the known α-isomers. Since all the isomers obtained are components of the

  甲基紫罗兰酮异构体的区域选择性合成6 - 9进行说明。γ-异构体8和9的对映异构体是通过酶介导的相应的4-羟基衍生物的拆分，然后还原性消除羟基而制备的。后一种化合物的绝对构型通过与已知的α-异构体的化学相关性确定。由于所有获得的异构体下Iralia的商品名人工紫罗兰增味剂的成分®，它们的气味性质是由调香师的专业评估。
• Cycloalkane derivatives
  申请人：Green Cross Corporation

  公开号：US04983723A1

  公开（公告）日：1991-01-08

  A cycloalkane derivative represented by the formula (I): ##STR1## wherein A, R.sup.2, R.sup.3, R.sup.4, R.sup.5, R.sup.6, R.sup.7, Z, and n are as defined in the specification. The compounds of formula (I) exhibit activities against peptic ulcers and are useful as therapeutic and prophylactic agents for peptic ulcers.

  一种由化学式（I）表示的环烷烃衍生物：##STR1## 其中A、R.sup.2、R.sup.3、R.sup.4、R.sup.5、R.sup.6、R.sup.7、Z和n如规范中定义。化合物的化学式（I）具有对消化性溃疡的活性，并可用作治疗和预防消化性溃疡的药物。
• POLYMER CONJUGATES FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES
  申请人：Berthier Damien

  公开号：US20100098649A1

  公开（公告）日：2010-04-22

  The present invention relates to the field of perfumery. More particularly, it concerns co-polymers, derived from a maleic anhydride derivative and a ethylenic derivative, comprising at least one β-oxy or β-thio carbonyl moiety capable of liberating an active molecule such as, for example, an α,β-unsaturated ketone, aldehyde or carboxylic ester. The present invention concerns also the use of polymers or co-polymers in perfumery as well as the perfuming compositions or perfumed articles comprising the invention's compounds.

  本发明涉及香料领域。更具体地，涉及由马来酸酐衍生物和乙烯衍生物组成的共聚物，其中包含至少一个β-氧或β-硫酰基团，能够释放出活性分子，例如α，β-不饱和酮，醛或羧酸酯。本发明还涉及在香料中使用聚合物或共聚物，以及包含本发明化合物的香料成分或香味物品。
• Retinoids and Related Compounds. Part 22. Synthesis of .BETA.-Ionone Analog Tricarbonyliron Complexes.
  作者：Akimori WADA、Naoko FUJIOKA、Masayoshi ITO

  DOI：10.1248/cpb.47.171

  日期：——

  The synthesis of β-ionone analog tricarbonyliron complexes was investigated. N-Methoxy-N-methyl-(2, 6, 6-trimethyl-1-cyclohexen-1-yl)-2-propenamide (Weinreb amide), prepared from the corresponding ethyl ester and N, O-dimethylhydroxylamine hydrochloride, reacted smoothly with various organometallic reagents to afford the β-ionone analogs in good to excellent yields. Treatment of these compounds with dodecacarbonyltriiron afforded the corresponding tricarbonyliron complexes in high yields.

  研究了β-紫罗兰酮类似物三羰基铁配合物的合成。由相应的乙酯与N,O-二甲基羟胺盐酸盐制备N-甲氧基-N-甲基-(2,6,6-三甲基-1-环己烯-1-基)-2-丙烯酰胺(Weinreb酰胺)，反应顺利与各种有机金属试剂反应，以良好至优异的产率提供 β-紫罗兰酮类似物。用十二羰基三铁处理这些化合物以高产率得到相应的三羰基三铁配合物。
• PROCESS FOR PREPARING POLYSUCCINIMIDE DERIVATIVES-BASED MICROCAPSULES
  申请人：Firmenich SA

  公开号：US20210316266A1

  公开（公告）日：2021-10-14

  Described herein is a new process for the preparation of polysuccinimide derivatives-based core-shell microcapsules. Also described are microcapsules, as well as perfuming compositions and consumer products including these microcapsules, in particular perfumed consumer products in the form of home care or personal care products.

  本文介绍了一种新的制备基于聚丁二酸亚酰胺衍生物的核-壳微胶囊的过程。还介绍了微胶囊，以及包括这些微胶囊的香料组合物和消费品，特别是家居护理或个人护理产品的香料消费品。

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