(E)-Undec-9-enenitrile | 131379-26-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (E)-Undec-9-enenitrile
• 英文别名: 9-undecenenitrile；Undec-9-enenitrile；(E,Z)-9-undecenonitrile；9-Undecenenitrile, (9E)-
• CAS: 131379-26-5
• 化学式: C₁₁H₁₉N
• 分子量: 165.279
• InChiKey: RPLWLQJSZFPHGM-NSCUHMNNSA-N

物化性质

• LogP：
  3.817 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  12
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  (E,Z)-9-undecanal oxime 在 乙酸酐 作用下， 以 甲苯 为溶剂， 以63%的产率得到(E)-Undec-9-enenitrile
  参考文献：
  名称：

  Fragrance composition comprising a mixture of nitriles

  摘要：

  本发明涉及一种香气组合物，其中包含(9E)-十一烯腈、(9Z)-十一烯腈和10-十一烯腈的混合物，可以与其他香料成分结合使用，并且在香水制造中有用，以及使用该组合物制备带有香气的消费品的过程。

  公开号：

  US20020035054A1

文献信息

• METHOD FOR THE CONTROLLED HYDROFORMYLATION AND ISOMERIZATION OF A NITRILE/ESTER/OMEGA UNSATURATED FATTY ACID
  申请人：ARKEMA FRANCE

  公开号：US20160115120A1

  公开（公告）日：2016-04-28

  A method to synthesize a fatty nitrile/ester aldehyde comprising the following steps: 1) hydroformylation of a ω-unsaturated fatty nitrile/ester/acid substrate under particular conditions of partial pressure, temperature, reaction time, conversion rate of the ω-unsaturated fatty nitrile/ester/acid reactant, catalyst, [substrate]/[metal] molar ratio and [ligand]/[metal] molar ratio so as after the reaction to obtain: a hydroformylation product comprising at least one fatty nitrile/ester/acid aldehyde of formula: OHC—(CH 2 ) r+2 —R, and an isomerate comprising at least one fatty nitrile/ester/acid isomer with internal unsaturation in which at least 80% of the internal isomer(s) of the isomerate are formed of the ω-1 unsaturated isomer of formula CH 3 —CH═CH—(CH 2 ) r−1 —R; followed by: 2) separation and recovery of the fatty nitrile/ester/acid aldehyde and of the isomerate.

  一种合成脂肪酸腈/酯醛的方法，包括以下步骤： 1）在特定的分压、温度、反应时间、ω-不饱和脂肪酸腈/酯/酸底物的转化率、催化剂、[底物]/[金属]摩尔比和[配体]/[金属]摩尔比条件下，对ω-不饱和脂肪酸腈/酯/酸底物进行氢甲酰化反应，以便在反应后获得： a. 一个氢甲酰化产物，包括至少一种公式为 OHC—(CH2)r+2—R 的脂肪酸腈/酯/酸醛；和 b. 一个异构物，包括至少一种具有内部不饱和的脂肪酸腈/酯/酸异构体，其中至少80%的内部异构体是由公式为 CH3—CH═CH—(CH2)r−1—R 的ω-1不饱和异构体形成的；随后进行： 2）分离和回收脂肪酸腈/酯/酸醛和异构物。
• Rhodium versus Iridium Catalysts in the Controlled Tandem Hydroformylation-Isomerization of Functionalized Unsaturated Fatty Substrates
  作者：Jérémy Ternel、Jean-Luc Couturier、Jean-Luc Dubois、Jean-François Carpentier

  DOI：10.1002/cctc.201402783

  日期：2015.2

  10‐undecenitrile (1) and related unsaturated fatty substrates (H2CCH(CH2)7CH2R; R=CO2Me, CH2Br, CHO) has been studied with rhodium, iridium, ruthenium, and palladium biphephos catalysts. The reactions proceeded effectively with all four systems, with high selectivities for the linear aldehyde (ratio of linear/branched aldehydes=99:1). The biphephos‐bis[chloro(cyclooctadiene)iridium] system showed a non‐optimized

  10 undecenitrile（的加氢甲酰化1）和相关的不饱和脂肪酸底物（H 2 CCH（CH 2）7 CH 2 R等R = CO 2 Me中的CH 2 BR，CHO）已经研究了铑，铱，钌，以及二苯醚钯催化剂。该反应在所有四个系统中均有效地进行，对线性醛具有高选择性（线性/支化醛的比率= 99：1）。Biphephos-双[氯（环辛二烯）铱]系统显示出未优化的加氢甲酰化转化频率（TOF HF）为770 h -1，仅比基于铑的系统（TOF HF）低约5倍= 3320 h -1）; 钯和钌联苯双酚体系的活性较低（TOF HF分别为210和310 h -1）。通过回收利用，在两种情况下均实现了卓越的生产率（TON≈58000 mol（1 / 1- int）mol（Ir）-1和250 000 mol（1 / 1- int）mol（Rh）-1，其中int＝内部烯烃）。这些催化剂使末端烯烃竞争异构
• Cycloaklyldiene-(Ortho Substituted Phenyl)-Acetonitriles and Their Use as Odorants
  申请人：Flachsmann Felix

  公开号：US20080200554A1

  公开（公告）日：2008-08-21

  Compounds of formula (I) and their use as fragrance ingredients wherein R is selected from methyl, ethyl, propyl, isopropyl, methoxy and ethoxy; R is hydrogen or methyl; and n is 0 or 1.

  式(I)的化合物及其作为香料成分的用途， 其中， R从甲基、乙基、丙基、异丙基、甲氧基和乙氧基中选择； R为氢或甲基； n为0或1。
• Perfume compositions
  申请人：Givaudan S.A.

  公开号：US10407644B2

  公开（公告）日：2019-09-10

  A perfume composition having controlled release of phytoncides in an atmosphere in order to generate an air condition resembling the air environment of a forest is provided. The perfume composition includes a) at least about 0.6% by weight of at least one phytoncide; and b) a perfume mixture including (i) at least one solvent; and (ii) at least one fragrance ingredient. At least about 25% by weight of the at least one phytoncide is selected from the group consisting of pinene alpha, pinene beta and combinations thereof.

  本发明提供了一种香水组合物，该组合物可在大气中控制植物杀菌剂的释放，以产生类似森林空气环境的空气条件。香水组合物包括 a) 至少约 0.6% （按重量计）的至少一种杀植物激素；和 b) 香水混合物，包括 (i) 至少一种溶剂；和 (ii) 至少一种香料成分。以重量计，至少约 25%的至少一种杀植物剂选自蒎烯 alpha、蒎烯 beta 及其组合。
• Microcapsules
  申请人：Givaudan, S.A.

  公开号：US10537868B2

  公开（公告）日：2020-01-21

  Encapsulated perfume composition comprising at least one aminoplast core-shell microcapsule dispersed in a suspending medium, the microcapsule comprising a perfume-containing core encapsulated in a shell, said shell comprising a network of cross-linked aminoplast resin, wherein 75-100% of the resin comprises 50-90%, preferably from 60-85%, of a terpolymer and from 10-50%, preferably from 10-25%, of a polymeric stabilizer; the terpolymer comprising: (a) from 20-35 wt %, preferably 22-30% by weight of moieties derived from at least one triamine, (b) from 30-60 wt %, preferably 40-55% by weight of moieties derived from at least one diamine, (c) from 20-35 wt %, preferably 22-30% by weight of moieties derived from the group consisting of alkylene and alkylenoxy moieties having 1 to 6 methylene units, preferably 1 to 4 methylene units and most preferably 1 methylene unit. The encapsulated perfume composition is useful for the storage and dissemination of fragrance in various products, such as laundry products and fabric care products.

  封装香水组合物，包括至少一个分散在悬浮介质中的氨基树脂芯壳微胶囊，所述微胶囊包括封装在外壳中的含香水的芯，所述外壳包括交联氨基树脂网络，其中75-100%的树脂包括50-90%，优选60-85%的三元共聚物和10-50%，优选10-25%的聚合物稳定剂；所述三元共聚物包括： (a) 20-35%，最好是 22-30%（按重量计）由至少一种三胺衍生的分子、 (b) 30-60%（按重量计），最好是 40-55%（按重量计）衍生自至少一种二胺的分子、 (c) 20-35%，优选 22-30%（按重量计）来自具有 1 至 6 个亚甲基单元，优选 1 至 4 个亚甲基单元，最优选 1 个亚甲基单元的亚烷基和亚烷氧基分子组成的组的分子。 封装的香水组合物适用于在各种产品（如洗衣产品和织物护理产品）中储存和传播香味。