3-甲基-2-(3-甲基-2-丁烯-1-基)-2-环戊烯-1-酮 | 61900-44-5

• 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: 3-甲基-2-(3-甲基-2-丁烯-1-基)-2-环戊烯-1-酮
• 英文名称: 3-methyl-2-(3-methylbut-2-enyl)cyclopent-2-enone
• 英文别名: 2-(3-methyl-2-butenyl)-3-methyl-2-cyclopenten-1-one；3-Methyl-2-(3-methyl-2-butenyl)-2-cyclopentenon；3-methyl-2-(3-methyl-2-butenyl)-2-cyclopenten-1-one；2-(3-methylbut-2-en-1-yl)-3-methyl-cyclopent-2-en-1-one；2-Cyclopenten-1-one, 3-methyl-2-(3-methyl-2-butenyl)-；3-methyl-2-(3-methylbut-2-enyl)cyclopent-2-en-1-one
• CAS: 61900-44-5
• 化学式: C₁₁H₁₆O
• 分子量: 164.247
• InChiKey: CLYICGOQOVMKBS-UHFFFAOYSA-N

物化性质

• 沸点：
  250.7±20.0 °C(Predicted)
• 密度：
  0.938±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2914299000

反应信息

• 作为反应物：
  描述：

  3-甲基-2-(3-甲基-2-丁烯-1-基)-2-环戊烯-1-酮 在 正丁基锂 、 臭氧 作用下， 以 二氯甲烷 为溶剂， 反应 2.5h， 生成 茉莉酮
  参考文献：
  名称：

  Armstead, David A.; Mann, John, Synthetic Communications, 1985, vol. 15, # 13, p. 1147 - 1152

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(3-methyl-2-butenyl)-3-methyl-5-(phenylthio)-2-cyclopenten-1-one 在 镍 作用下， 生成 3-甲基-2-(3-甲基-2-丁烯-1-基)-2-环戊烯-1-酮
  参考文献：
  名称：

  Synthesis and reactions of .alpha.-chloro-.beta.,.gamma.-unsaturated esters. 2. Application to the synthesis of dihydrojasmone, cis-jasmone, desoxyallethrolone, and novel cyclopentenones

  摘要：

  DOI：

  10.1021/jo00305a028

文献信息

• Substituted cyclopentenone derivatives and their use in perfume compositions
  申请人：International Flavors & Fragrances Inc.

  公开号：US07141699B1

  公开（公告）日：2006-11-28

  The present invention relates to substituted cyclopentanone derivatives and their use as fragrance chemicals suitable for incorporation in fine fragrances, cosmetics, toiletries and related applications.

  本发明涉及取代环戊酮衍生物及其作为适合用于精致香水、化妆品、洗涤用品和相关应用的香料化学品的用途。
• Precursors for fragrant ketones and fragrant aldehydes
  申请人：Givaudan SA

  公开号：EP1262473A1

  公开（公告）日：2002-12-04

  The present invention refers to fragrance precursors of formula I for a fragrant ketone of formula II and one or more fragrant aldehydes or ketones of formula III and IV, These fragrance precursors are useful in perfumery, especially in the fine and functional perfumery.

  本发明涉及公式I的香气前体，用于公式II的芳香酮和公式III和IV的一个或多个芳香醛或酮，这些香气前体在香水制造中特别有用，尤其是在精细和功能性香水中。
• [EN] A PRODRUG COMPRISING BETA-KETO CARBOXYLIC ACID, BETA-KETO CARBOXYLIC ACID SALT OR BETA-KETO CARBOXYLIC ACID ESTER FOR DRUG DELIVERY<br/>[FR] PROMÉDICAMENT COMPRENANT UN ACIDE BÊTA-CÉTO CARBOXYLIQUE, UN SEL D'ACIDE BÊTA-CÉTO CARBOXYLIQUE OU UN ESTER D'ACIDE BÊTA-CÉTO CARBOXYLIQUE POUR L'ADMINISTRATION DE MÉDICAMENT
  申请人：YKI YTKEMISKA INST AB

  公开号：WO2010120232A1

  公开（公告）日：2010-10-21

  There is provided a prodrug of a pharmaceutically active agent, said prodrug comprising a beta-keto carboxylic acid, a beta-keto carboxylic acid salt or a beta-keto carboxylic acid ester functional group, to a pharmaceutical composition comprising the prodrug, and to the use of the prodrug or composition for treatment of a mammalian subject suffering from a condition which can be cured or alleviated by administration of said pharmaceutically active agent. There is further provided a method of inhibiting decarboxylation of a compound comprising a beta-keto carboxylic acid or a salt thereof with a monovalent cation, characterized in that a dry salt of said beta-keto carboxylic acid with a divalent or polyvalent cation is prepared.

  提供了一种药用活性剂的前药，该前药包括β-酮羧酸、β-酮羧酸盐或β-酮羧酸酯官能团，以及包括该前药的药物组合物，以及将该前药或组合物用于治疗患有可以通过给药该药用活性剂来治愈或缓解的病症的哺乳动物主体的用途。还提供了一种抑制具有β-酮羧酸或其盐的化合物的脱羧作用的方法，其特征在于制备带有二价或多价阳离子的该β-酮羧酸的干盐。
• Synthetic photochemistry. A synthesis of the carbon skeleton found in taylorione from Mylia taylorii, using the di-π-methane rearrangement
  作者：Gerald Pattenden、Derek Whybrow

  DOI：10.1039/p19810001046

  日期：——

  Synthetic routes to the E- and Z-cyclopentenones (20) and (25), which incorporate photosensitive 1,4-diene systems, are described. Irradiation of the E-cyclopentenone (20) is shown to result in efficient regiospecific di-π-methane rearrangement (>70%) to the vinylcyclopropane (26), which is then converted into trans-deoxytaylorione (28). Irradiation of the corresponding Z-cyclopentenone (25) also leads

  描述了到E-和Z-环戊烯酮（20）和（25）的合成路线，所述路线包含光敏的1，4-二烯系统。E-环戊烯酮（20）的辐照显示导致乙烯基环丙烷（26）有效的区域特异性二-π-甲烷重排（＞ 70％），然后乙烯基环丙烷（26）转化为反式-脱氧taylorione（28）。相应的Z-环戊烯酮（25）的辐照也导致（26），大概是通过Z - E光异构化产生的E-环戊烯酮（20）。
• Cyclic Ketals As Fragrance Precursor Compounds
  申请人：Henkel AG & Co. KGaA

  公开号：US20190276469A1

  公开（公告）日：2019-09-12

  The invention is directed to the field of pro-fragrances used in detergents and cleaning agents, cosmetic agents and air fresheners, for example. The invention relates to particular cyclic ketals used as pro-fragrances. The invention also relates to detergents and cleaning agents, cosmetic agents and air fresheners containing ketals of the type. The invention further relates to a method for creating a long-lasting fragrance on surfaces and for repelling insects.

  本发明涉及用于洗涤剂和清洁剂、化妆品和空气清新剂等领域的前香料。本发明涉及特定的环状酮缩酸酯作为前香料。本发明还涉及含有该类型酮缩酸酯的洗涤剂和清洁剂、化妆品和空气清新剂。本发明还涉及在表面上制造长效香气和驱虫的方法。