N-allylisoquinilinium chloride | 1101866-85-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: N-allylisoquinilinium chloride
• 英文别名: N-allylisoquinolinium chloride；2-prop-2-enylisoquinolin-2-ium;chloride
• CAS: 1101866-85-6
• 化学式: C₁₂H₁₂N*Cl
• 分子量: 205.687
• InChiKey: TUDAAAIHSHMAJA-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.68
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  3.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-allylisoquinilinium chloride 以 乙醇 为溶剂， 生成 di-[(N-allylisoquinolinium)copper(I) bromide]
  参考文献：
  名称：

  Copper complexes with N-allylisoquinolinium halides: Synthesis and crystal structures of [C9H7N(C3H5)]2CuIICl2.86Br1.14, [C9H7N(C3H5)CuIBr2] · H2O, and [C9H7N(C3H5)CuIBr2]

  摘要：

  Crystals of the copper bromide complexes with N-allylisoquinolinium halides of the composition [C9H7N(C3H5)](2)(CuCl2.86Br1.14)-Cl-II (I), [C9H7N(C3H5)](CuBr2)-Br-I center dot H2O (II), and [C9H7N(C3H5)](CuBr2)-Br-I (III) are prepared by ac electrochemical synthesis, and their structures are studied by X-ray diffraction analysis (DARCh-1 (for I) and KUMA/CCD (for II and III) diffractometers). The crystals of compound I are monoclinic: space group P2(1)/n, a = 15.053(5) angstrom, b = 10.486(4) angstrom, c = 17.179(10) angstrom, gamma = 109.77(3)degrees, V = 2552(4) angstrom(3), Z = 4. The crystals of complex II are triclinic: space group P 1, a = 7.040(1) angstrom, b = 7.610(2) angstrom, c = 12.460(2) angstrom, alpha = 79.54(3)angstrom, beta = 86.73(3)degrees, gamma = 89.51(1)degrees, V = 655.4(2) angstrom(3), Z = 2. The crystals of complex III are monoclinic: space group P2(1)/n, a = 12.799(1) angstrom, b = 7.692(1) angstrom, c = 13.491(1) angstrom, beta = 111.08(1)degrees, V = 1239.3(2) angstrom(3), Z = 4. The structure of compound I is built of the (CuX42)-X-II-tetrahedra and N-allylisoquinolinium cations united by the C-H center dot center dot center dot X contacts into corrugated layers. The crystal structure of pi-complex II is formed of dimers of the composition [C9H7(C3H5)](2) (Cu2Br4)-Br-I forming layers in the direction of the z axis due to the C-H center dot center dot center dot X contacts. An important role in structure formation belongs to water molecules that cross-link the organometallic layers through the O-H center dot center dot center dot X contacts into a three-dimensional framework. When kept in the mother liquor for 6 months, the crystals of compound II transformed into crystals of compound III, whose structure consists of {[C9H7(C3H5)](2)(Cu2Br4)-Br-I} (n) columns united through the C-H center dot center dot center dot Br contacts (H center dot center dot center dot Br 2.84(3)-2.92(4) angstrom) into a three-dimensional framework.

  DOI：

  10.1134/s1070328407070056

文献信息

• METHOD FOR MANUFACTURING AN EPOXY COMPOUND AND METHOD FOR EPOXIDIZING A CARBON-CARBON DOUBLE BOND
  申请人：Takumi Kiyoshi

  公开号：US20120108830A1

  公开（公告）日：2012-05-03

  The present invention provides a method for producing an epoxy compound, comprising oxidizing a carbon-carbon double bond of an organic compound by hydrogen peroxide in the presence of a neutral inorganic salt and a mixed catalyst of a tungsten compound (a), at least one phosphorus compound selected from the group consisting of phosphoric acids, phosphonic acids, and salts thereof (b) and a surfactant (c), and an epoxidizing method comprising oxidizing a carbon-carbon double bond by hydrogen peroxide in the presence of the catalyst and the neutral inorganic salt.

  本发明提供了一种生产环氧化合物的方法，包括在中性无机盐和钨化合物（a）、磷酸、膦酸及其盐（b）和表面活性剂（c）的混合催化剂存在下，通过过氧化氢氧化有机化合物的碳-碳双键，以及一种环氧化方法，包括在催化剂和中性无机盐存在下，通过过氧化氢氧化碳-碳双键。
• METHOD OF PRODUCING EPOXY COMPOUNDS
  申请人：Uchida Hiroshi

  公开号：US20110263882A1

  公开（公告）日：2011-10-27

  Provided is a method of efficiently producing an epoxy compound from an allyl ether having an aromatic ring under mild conditions by using hydrogen peroxide as an oxidizing agent without using an organic solvent. The method of producing an epoxy compound comprises reacting an allyl ether having an aromatic ring with hydrogen peroxide to epoxidize a carbon-carbon double bond of an allyl group to thereby produce a corresponding epoxy compound having an aromatic ring, wherein water only is used as a solvent without using an organic solvent, and a tungsten compound, and a tertiary amine and/or a quaternary ammonium salt, are used as a reaction catalyst.

  提供了一种在温和条件下使用过氧化氢作为氧化剂，而无需使用有机溶剂，从具有芳香环的烯丙基醚高效生产环氧化合物的方法。生产环氧化合物的方法包括将具有芳香环的烯丙基醚与过氧化氢反应，使烯丙基团的碳-碳双键环氧化，从而产生具有芳香环的相应环氧化合物，其中仅使用水作为溶剂，不使用有机溶剂，并且使用钨化合物、三级胺和/或季铵盐作为反应催化剂。
• Cosmetic or pharmaceutical compositions comprising modified polyorganosiloxanes
  申请人：Meder Markus

  公开号：US20050255075A1

  公开（公告）日：2005-11-17

  Cosmetic or pharmaceutical compositions comprising one or more substituted aminopolyorganosiloxanes (S H ) with substituted amino groups which are bonded to silicon atoms of the polysiloxane basic structure via alkylene bridges or mono- or oligo(alkylenamino)alkylene bridges, where the amino groups present in the aminopolyorganosiloxanes (S H ) are substituted at least partially by a radical of the formula (ε) T-CH 2 —CHOH—CH 2 —  (ε), in which T is the radical of a surfactant monoalcohol polyglycol ether with emulsifier character, the amino groups present in the aminopolyorganosiloxanes (S H ) are substituted in the average ratio of at least 1.5 radicals of the formula (ε) per Si-bonded aminoalkyl group or amino-mono- or -oligo-(alkylenamino)-alkyl group, and present amino groups are, if appropriate, acylated and/or alkylated and/or benzylated and/or protonated at least partially to give amide groups, are described.

  本发明涉及一种化妆品或药物组合物，其中包括一种或多种取代的氨基聚有机硅氧烷（SH），其具有通过烷基桥或单或寡（烷基氨基）烷基桥与聚硅氧烷基础结构的硅原子结合的取代氨基团，其中在氨基聚有机硅氧烷（SH）中存在的氨基团至少部分地被式（ε）T-CH2-CHOH-CH2-的基团取代，其中T是具有乳化剂特性的表面活性单醇聚醚的基团，氨基聚有机硅氧烷（SH）中存在的氨基团在平均比例上被式（ε）的至少1.5个基团取代，每个硅键合氨基烷基团或氨基单或寡（烷基氨基）烷基团，并且存在的氨基团如适当，可以部分酰化和/或烷基化和/或苄基化和/或质子化，以至少部分形成酰胺基团。
• PROCESS FOR PRODUCING ENLARGED LATEX
  申请人：KUREHA KAGAKU KOGYO KABUSHIKI KAISHA

  公开号：EP1245584A1

  公开（公告）日：2002-10-02

  A process for preparing an enlarged latex, which comprises (1) causing (a) an anionic surfactant and (b) at least one surfactant selected from the group consisting of a cationic surfactant and an amphoteric surfactant to exist in a latex, (2) adding, as an aggregating and enlarging agent, at least one selected from the group consisting of (i) an inorganic acid, (ii) an organic acid, (iii) a substance which forms an acid in water, (iv) a combination of at least two substances which are reacted with each other to form an acid, and (v) a substance which forms an acid by exposure to active rays to the latex in the presence of these surfactants, and (3) causing the acid derived from the aggregating and enlarging agent to act on the latex, thereby enlarging the particle diameter of the latex, an enlarged latex obtained by the preparation process, a graft copolymer obtained by polymerizing a polymerizable monomer with the enlarged latex, and a resin composition comprising the graft copolymer and a thermoplastic resin.

  一种制备增大胶乳的工艺，包括(1)使(a)阴离子表面活性剂和(b)至少一种从阳离子表面活性剂和两性表面活性剂组成的组中选出的表面活性剂存在于胶乳中，(2)添加、(i) 无机酸；(ii) 有机酸；(iii) 在水中形成酸的物质；(iv) 至少两种相互反应形成酸的物质的组合、(3) 使聚合和增大剂产生的酸作用于胶乳，从而增大胶乳的颗粒直径、通过制备工艺获得的增大胶乳、通过将可聚合单体与增大胶乳聚合而获得的接枝共聚物，以及由接枝共聚物和热塑性树脂组成的树脂组合物。
• Single-phase cosmetic care compositions
  申请人：Clariant GmbH

  公开号：EP1369104A1

  公开（公告）日：2003-12-10

  A single-phase hair cosmetic preparation is disclosed, which comprises, as active substance, a compound of the formula R(OCHR'CH2)w(OCHR"CH2)-O(CH2)3-Me2SiO(R"'MeSiO)y(Me2SiO)zSiMe2(CH2)3-O-(CH2CHR"O)w(CH2CHR'O)xR,where Me is methyl, R is an alkyl group having 1 to 4 carbon atoms, R' and R", independently of one another, are hydrogen or an alkyl group having 1 to 4 carbon atoms, R"' is a linear or branched alkyl group having 4 to 18 carbon atoms, and x and w may be a number from 0 to 60, preferably 5 to 30, particularly preferably 10 to 20, y may be a number from 5 to 100 and z may be a number from 5 to 200, where the sum of the numbers x and w must be greater than or equal to 1 and the alkoxy groups may be in random distriburion or else be in block form, y may be a number from 5 to 100 and z may be a number from 5 to 200.

  本发明公开了一种单相头发化妆品制剂，它包括作为活性物质的式 R(OCHR'CH2)w(OCHR "CH2)-O(CH2)3-Me2SiO(R"'MeSiO)y(Me2SiO)zSiMe2(CH2)3-O-(CH2CHR "O)w(CH2CHR'O)xR 的化合物，其中 Me 是甲基、R 是具有 1 至 4 个碳原子的烷基，R'和 R "各自是氢或具有 1 至 4 个碳原子的烷基，R"'是具有 4 至 18 个碳原子的直链或支链烷基、x和w可以是0至60的数字，最好是5至30，尤其最好是10至20，y可以是5至100的数字，z可以是5至200的数字，其中x和w的数字之和必须大于或等于1，烷氧基可以是随机分布的，也可以是块状的，y可以是5至100的数字，z可以是5至200的数字。