1-(3,3-二甲基双环[2.2.1]庚-5-烯-2-基)乙烷-1-酮 | 42370-06-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(3,3-二甲基双环[2.2.1]庚-5-烯-2-基)乙烷-1-酮
• 英文名称: 2-acetyl-3,3-dimethylbicyclo<2.2.1>hept-5-ene
• 英文别名: 2-acetyl-3,3-dimethyl-5-norbornene；1-(3.3-Dimethyl-5-norbornen-2-yl)-ethanon；Ethanone, 1-(3,3-dimethylbicyclo[2.2.1]hept-5-en-2-yl)-；1-(3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethanone
• CAS: 42370-06-9
• 化学式: C₁₁H₁₆O
• 分子量: 164.247
• InChiKey: SCWUMJVMCMYITJ-UHFFFAOYSA-N

物化性质

• 沸点：
  220.0±29.0 °C(Predicted)
• 密度：
  0.9793 g/cm3(Temp: 204 °C)
• LogP：
  2.386 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.73
• 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：

  1-(3,3-二甲基双环[2.2.1]庚-5-烯-2-基)乙烷-1-酮 、 3-氯-2-甲基丙烯 在 ammonium chloride 、 magnesium 作用下， 以 乙醚 为溶剂， 生成 ALPHA-METHALLYL-ALPHA,3,3-TRIMETHYL-5-NORBORNENE-2-METHANOL
  参考文献：
  名称：

  Substituted norbornane derivatives

  摘要：

  本发明涉及具有感官特性的化合物，其化学式为##STR1##其中波浪线代表碳-碳单键或双键。

  公开号：

  US04130587A1
• 作为产物：
  描述：

  4-甲基-3戊烯-2-酮 在 三氯化铝 作用下， 生成 1-(3,3-二甲基双环[2.2.1]庚-5-烯-2-基)乙烷-1-酮
  参考文献：
  名称：

  Vathke-Ernst, Heidrun; Hoffmann, H. M. R., Chemische Berichte, 1981, vol. 114, # 4, p. 1464 - 1475

  摘要：

  DOI：

文献信息

• Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production
  申请人：Makovec Francesco

  公开号：US20050197331A1

  公开（公告）日：2005-09-08

  Heterocyclic amidines with anti-inflammatory and analgesic activity that inhibit nitrogen oxide production, of formula (I): in which: G 1 and G 2 are hydrogen, halogen, hydroxyl, C 1 -C 4 alkoxy, C 1 -C 4 alkyl, and an amidino substituent of formula Q, provided that, for each compound of formula (I), only one of the two substituents G 1 or G 2 is an amidino substituent of formula Q: and in which the substituents W, Y and X are combined to form 9- or 10-membered bicyclic heteroaromatic derivatives containing up to 2 hetero atoms in the same ring; and Z is an aryl or heteroaryl group, a linear or branched C 1 -C 6 alkyl or alkenyl chain, a C 1 -C 4 alkyl-aryl group or a C 1 -C 4 alkyl-heteroaryl group.

  含有抗炎和镇痛活性、抑制氮氧化物产生的杂环胺基化合物，化学式（I）如下：其中：G1和G2为氢、卤素、羟基、C1-C4烷氧基、C1-C4烷基和式为Q的胺基取代基，但对于化合物的每个化学式（I），G1或G2中仅有一个是式为Q的胺基取代基；其中取代基W、Y和X结合形成含有最多2个杂原子的同一环中的9-或10-成员双环杂芳衍生物；Z为芳基或杂芳基团、线性或支链状的C1-C6烷基或烯基链、C1-C4烷基-芳基团或C1-C4烷基-杂芳基团。
• Alkenyl and alkylidene norbornyl ketone derivatives
  申请人：International Flavors & Fragrances Inc.

  公开号：US04148826A1

  公开（公告）日：1979-04-10

  Described for the use in foodstuff, chewing gum, toothpaste and medicinal product flavor and aroma, tobacco flavor and aroma and perfume aroma augmenting, modifying, enhancing and imparting compositions and as foodstuff, chewing gum, toothpaste, medicinal product, tobacco, perfume and perfumed article aroma imparting materials are one or more alkenyl or alkylidene norbornyl ketone derivatives having the generic structure: ##STR1## wherein R is C.sub.3 -C.sub.5 alkenyl or C.sub.3 -C.sub.5 alkylidene and the dashed lie is a carbon-carbon single bond or a carbon-carbon double bond, specifically the compounds having the structures: ##STR2## and products produced according to the process of reacting 2-acetyl-3,3-dimethyl-5-norbornene with a complex of N-methylaniline and an alkyl magnesium halide to form a grinard salt of 2-acetyl-3,3-dimethyl-5-norbornene having the structure: ##STR3## said reacting being carried out from -5.degree. C. up to about 40.degree. C.; reacting the resulting compound with acid aldehyde in the presence of a solvent selected from the group consisting of benzene, tetrahydrofuran, and diethyl ether at a temperature in the range of from -5.degree. C. up to 20.degree. C.; hydrolyzing the resulting material to form substantially a keto alcohol in the presence of a mineral acid; and then dehydrating the resulting keto alcohol with a mild dehydrating agent at a temperature in the range of from 80.degree. C. up to 150.degree. C. over a period of time of from 1 up to 5 hours in the presence of a strong acid.

  描述用于食品、口香糖、牙膏和药品香味和气味、烟草香味和气味以及香水增强、修改、提高和赋予组合物的用途，以及用作食品、口香糖、牙膏、药品、烟草、香水和带香物品气味赋予材料的一个或多个烯基或烷基取代的莫尔比林酮衍生物，其通用结构为：##STR1## 其中R为C.sub.3-C.sub.5烯基或C.sub.3-C.sub.5烷基，虚线为碳-碳单键或碳-碳双键，具体结构为：##STR2## 和根据将2-乙酰基-3,3-二甲基-5-莫尔比烯与N-甲基苯胺和烷基镁卤化物的复合物反应制备格林纳德盐，形成结构为：##STR3## 的产物，所述反应在-5°C至约40°C范围内进行；在苯、四氢呋喃和二乙醚等溶剂存在下，在温度为-5°C至20°C范围内，将所得化合物与酸醛反应；在矿物酸存在下，水解所得物质以形成基本上为酮醇；然后，在强酸存在下，使用温和的脱水剂在80°C至150°C范围内，经过1至5小时的时间，脱水所得的酮醇。
• Hydroxy alkenyl norbornane derivatives
  申请人：International Flavors & Fragrances Inc.

  公开号：US04153811A1

  公开（公告）日：1979-05-08

  Described for use in augmenting or enhancing the organoleptic properties of foodstuffs, chewing gums, toothpastes, medicinal products, tobaccos, perfumes and perfumed articles are one or more hydroxy alkenyl norbornane derivatives having one of the structures: ##STR1##

  描述用于增强或提升食品、口香糖、牙膏、药品、烟草、香水和带香味物品的感官特性的一种或多种羟基烯丙基莽环衍生物，其具有以下结构之一：##STR1##
• Process of enhancing the aroma of a soap with norbornane derivatives
  申请人：International Flavors & Fragrances Inc.

  公开号：US04153568A1

  公开（公告）日：1979-05-08

  Norbornane derivatives are used in soaps. Specifically, mixture of 2-(2-butenoyl)-3,3-dimethylnorbornane; 2-(3-butenoyl)-3,3-dimethylnorbornane and .alpha.-allyl-3,3-dimethyl-2-norbornanemethanol are used.

  诺博尔烷衍生物被用于肥皂中。具体来说，混合物2-(2-丁烯酰基)-3,3-二甲基诺博烷；2-(3-丁烯酰基)-3,3-二甲基诺博烷和α-烯丙基-3,3-二甲基-2-诺博烷甲醇被使用。
• Flavoring with substituted norbornane derivatives
  申请人：International Flavors & Fragrances Inc.

  公开号：US04136208A1

  公开（公告）日：1979-01-23

  Norbornane Derivatives are used in foodstuffs and flavorings. Specifically, 3,3-dimethyl-2-pentanoylnorbornane and 2-butyrl-3,3-dimethylnorbornane are used.

  诺博南衍生物被用于食品和香料中。具体来说，使用了3,3-二甲基-2-戊酰基诺博南和2-丁酰基-3,3-二甲基诺博南。