β-(β-Methyl)-styrylisocyanat | 36697-38-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: β-(β-Methyl)-styrylisocyanat
• 英文别名: 2-Isocyanatoprop-1-enylbenzene
• CAS: 36697-38-8
• 化学式: C₁₀H₉NO
• 分子量: 159.188
• InChiKey: KGCGXEWDYDBKTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  29.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (Z)-trimethylsilyl N-trimethylsilylacetimidate 、 β-(β-Methyl)-styrylisocyanat 在 甲醇 作用下， 生成 1-Acetyl-3-((E)-1-methyl-2-phenyl-vinyl)-urea
  参考文献：
  名称：

  Gonda, Josef; Antalova, Zuzana, Collection of Czechoslovak Chemical Communications, 1991, vol. 56, # 3, p. 685 - 694

  摘要：

  DOI：
• 作为产物：
  描述：

  2-Methyl-3-phenylprop-2-enoyl azide 以 甲苯 为溶剂， 反应 0.5h， 生成 β-(β-Methyl)-styrylisocyanat
  参考文献：
  名称：

  催化分子间氮杂-维蒂希/狄尔斯-阿尔德序列多组分合成取代吡啶

  摘要：

  基于通过氧化还原中性催化分子间氮杂-维蒂希反应及其随后的狄尔斯-阿尔德反应合成 2-氮杂二烯，已经开发了多取代吡啶的三组分合成。使用一系列芳基和杂芳族醛、取代的 α,β-不饱和酸和推拉烯胺证明了两锅法，可以快速获得各种三取代和四取代的吡啶。

  DOI：

  10.1039/d2ra05018h

文献信息

• Benzimidazolone derivatives displaying affinity at the serotonin and dopamine receptors
  申请人：——

  公开号：US20020103208A1

  公开（公告）日：2002-08-01

  Compound of formula (I) 1 wherein: R 1 is hydrogen or C 1 -C 6 -alkyl optionally substituted by C 3 -C 6 -cycloylalkyl; R 2 and R 3 together with the nitrogen form a saturated or unsaturated 5- or 6-membered heterocyclic ring optionally containing nitrogen or oxygen as an additional heteroatom, wherein the heterocyclic ring thereof is substituted by a group selected from phenyl, benzyl, and diphenylmethyl, each optionally mono- or di-substituted by one or two groups selected from CF 3 , C 1 -C 4 -alkyl, C 1 -C 4 -alkoxy, phenyl, benzyl, halogen, and OH, or R 2 and R 3 together with the nitrogen form a saturated or unsaturated 5- or 6-membered heterocyclic ring optionally containing nitrogen or oxygen as an additional heteroatom, the heterocyclic ring thereof linked via a single bond, a methylene-bridge, or spiro-connected to another saturated or unsaturated heterocyclic group containing one or two heteroatoms selected from oxygen and nitrogen, the heterocyclic group being optionally mono- or di-substituted by a group selected from CF 3 , C 1 -C 4 -alkyl, C 1 -C 4 -alkoxy, phenyl, benzyl, halogen, =O, and OH, or R 2 and R 3 together with the nitrogen form a saturated or unsaturated bi- or tricyclic heterocyclic ring system optionally containing nitrogen or oxygen as an additional heteroatom, the heterocyclic ring system is optionally substituted by a group selected from CF 3 , C 1 -C 4 -alkyl, C 1 -C 4 -alkoxy, phenyl, benzyl, halogen, =O, and OH; and A is C 2 -C 6 -alkenylene, their pharmaceutically acceptable salts, their preparation, and their use for therapeutic purposes.

  化合物的公式(I)1，其中： R1是氢或C1-C6-烷基，该烷基可选择性地被C3-C6-环烷基取代； R2和R3与氮一起形成饱和或不饱和的5-或6-成员杂环，该杂环可选择性地含有氮或氧作为附加杂原子，其中所述杂环被苯基，苄基和二苯甲基中的一种取代，每种取代可选择性地单取代或双取代于一或两个CF3，C1-C4-烷基，C1-C4-烷氧基，苯基，苄基，卤素和OH中的一种或两种；或者R2和R3与氮一起形成饱和或不饱和的5-或6-成员杂环，该杂环可选择性地含有氮或氧作为附加杂原子，其中所述杂环通过单键，亚甲基桥或螺环连接到另一个饱和或不饱和的含有一个或两个氧和氮杂原子的杂环基团，所述杂环基团可选择性地单取代或双取代于一或两个 ，C1-C4-烷基，C1-C4-烷氧基，苯基，苄基，卤素，=O和OH中的一种或两种；或者R2和R3与氮一起形成饱和或不饱和的双环或三环杂环系统，该杂环系统可选择性地含有氮或氧作为附加杂原子，该杂环系统可选择性地被 ，C1-C4-烷基，C1-C4-烷氧基，苯基，苄基，卤素，=O和OH中的一种或两种取代；以及 A是C2-C6-烯基，它们的药学上可接受的盐，它们的制备以及它们用于治疗目的的用途。
• N,N'-disubstituted benzimidazolone derivatives with affinity at the serotonin and dopamine receptors
  申请人：——

  公开号：US20030027823A1

  公开（公告）日：2003-02-06

  A compound of formula (I) 1 wherein: R 1 is C 1 -C 6 -alkyl substituted by a group selected from OH, C 1 -C 6 -alkoxy, —OCONHC 1 -C 6 -alkyl, —OCONHC 1 -C 6 -alkyl, —NHSO 2 C 1 -C 6 -alkyl, and —NHCOC 1 -C 6 -alkyl, or R 1 is C 1 -C 6 -alkyl substituted by a saturated or unsaturated 5- or 6-membered heterocycle containing one or two heteroatoms selected from the group consisting of nitrogen and oxygen, the heterocycle optionally substituted by a group selected from C 1 -C 4 -alkyl, halogen, and benzyl; R 2 and R 3 together with the nitrogen form a saturated or unsaturated 5- or 6-membered heterocyclic ring optionally containing nitrogen or oxygen as an additional heteroatom, the heterocyclic ring thereof substituted by a group selected from phenyl, benzyl, and diphenylmethyl, each of these groups optionally mono- or di-substituted by one or two groups selected from CF 3 , C 1 -C 4 -alkyl, C 1 -C 4 -alkoxy, phenyl, benzyl, halogen, and OH, or R 2 and R 3 together with the nitrogen form a saturated or unsaturated 5- or 6-membered heterocyclic ring optionally containing nitrogen or oxygen as an additional heteroatom, the heterocyclic ring thereof linked via a single bond, a methylene-bridge, or spiro-connected to a saturated or unsaturated heterocyclic group containing one or two heteroatoms selected from oxygen and nitrogen, the heterocyclic group optionally mono- or di-substituted by a group selected from CF 3 , C 1 -C 4 -alkyl, C 1 -C 4 -alkoxy, phenyl, benzyl, halogen, ═O, and OH, or R 2 and R 3 together with the nitrogen form a saturated or unsaturated bi- or tricyclic heterocyclic ring-system optionally containing nitrogen or oxygen as an additional heteroatom, the heterocyclic ring-system being optionally substituted by a group selected from CF 3 , C 1 -C 4 -alkyl, C 1 -C 4 -alkoxy, phenyl, benzyl, halogen, ═O, and OH; and A is C 1 -C 6 -alkylene, C 2 -C 6 -alkenylene, or C 2 -C 6 -alkynylene, their pharmaceutically acceptable salts, their preparation, and their use for therapeutic purposes.

  化合物的式子（I）其中：R1是C1-C6烷基，其被选择的基团取自OH，C1-C6-烷氧基，-OCONHC1-C6-烷基，-OCONHC1-C6-烷基，-NHSO2C1-C6-烷基和-NHCOC1-C6-烷基，或R1是C1-C6烷基，其被饱和或不饱和的5-或6-成员杂环取代，其中包含来自氮和氧的一种或两种杂原子，该杂环可选地被C1-C4-烷基，卤素和苄基中的一种基团取代; R2和R3与氮一起形成饱和或不饱和的5-或6-成员杂环，该杂环可选地含有氮或氧作为额外的杂原子，其杂环被取代为来自苯基，苄基和二苯甲基的一种基团，这些基团中的每一个可选地被一个或两个来自CF3，C1-C4-烷基，C1-C4-烷氧基，苯基，苄基，卤素和OH的基团单取代或双取代，或R2和R3与氮一起形成饱和或不饱和的5-或6-成员杂环，该杂环可选地包含氮或氧作为额外的杂原子，其杂环通过单键，亚甲基桥或螺旋连接到一个饱和或不饱和的杂环基团，该杂环基团可选地被来自 ，C1-C4-烷基，C1-C4-烷氧基，苯基，苄基，卤素，═O和OH的基团单取代或双取代，或R2和R3与氮一起形成饱和或不饱和的双环或三环杂环系统，该杂环系统可选地含有氮或氧作为额外的杂原子，其杂环系统可选地被来自 ，C1-C4-烷基，C1-C4-烷氧基，苯基，苄基，卤素，═O和OH的基团单取代或双取代; A是C1-C6-烷基，C2-C6-烯基或C2-C6-炔基，它们的药学上可接受的盐，其制备和用于治疗目的。
• Nail polish compositions
  申请人：L'OREAL

  公开号：US10058502B2

  公开（公告）日：2018-08-28

  Compositions including polycarbodiimide together with latex compounds to enhance the quality of the keratinous substrates. The present invention relates to a cosmetic treatment and process for treating keratinous materials, in particular for nail polishes and other treatments, where, according to the process, the polycarbodiimide and latex actives may be applied in a nail treatment that is a single step or at least two sequential steps. The ratio of the latex compound to the polycarbodiimide compound is in the range from about 50:50 to about 95:5, and the composition comprises 10 to 100% of a combined amount of the polycarbodiimide compound and the latex compound, by weight, of the entire composition. It is in particular a nail treatment composition and process for providing one or more of improved adhesion, water resistance, and shine through crosslinking between the actives, thereby imparting long wear, good shine, nail protection, and easy removal.

  包括聚卡波二亚胺和乳胶化合物的组合物，可提高角质基材的质量。本发明涉及一种用于处理角质材料，特别是用于指甲油和其他处理的化妆品处理方法和工艺，根据该工艺，聚卡波二亚胺和乳胶活性物质可在指甲处理过程中使用，该处理方法是一个步骤或至少两个连续步骤。乳胶化合物与聚卡波二亚胺化合物的比例范围为约 50:50 至约 95:5，按重量计，组合物中聚卡波二亚胺化合物和乳胶化合物的总量占整个组合物的 10%至 100%。本发明尤其是一种指甲处理组合物和工艺，可通过活性物之间的交联提供一种或多种改进的粘附性、防水性和光泽，从而赋予指甲长久的耐磨性、良好的光泽、指甲保护和易去除性。
• Inkjet printing on dyed synthetic fabrics
  申请人：Kornit Digital Ltd.

  公开号：US11530330B2

  公开（公告）日：2022-12-20

  An inkset and a process for direct inkjet printing color images on dyed synthetic fabrics is provided herewith, based on forming an image on the fabric in the form of a well-adhered crosslinked film, using an acid-immobilized ink composition, while avoiding dye migration from the fabric to the image in the process of curing the film, using a low-temperature curing crosslinking agent and curing the image at a temperature lower than 120±5° C.

  本发明提供了一种用于在染色合成纤维织物上直接喷墨打印彩色图像的墨组和工艺，其基础是使用酸固定墨水组合物在织物上形成粘附良好的交联薄膜形式的图像，同时在固化薄膜的过程中避免染料从织物迁移到图像上，使用低温固化交联剂并在低于 120±5°C 的温度下固化图像。
• Inkjet ink, ink set and method of printing
  申请人：Bauer Douglas Richard

  公开号：US20060098066A1

  公开（公告）日：2006-05-11

  This invention pertains to an inkjet ink comprising a polycarbodiimide groups-containing component, various ink sets comprising this ink, including one ink set with at least one co-reactive ink, and a method of printing with the ink and ink sets. When the inks are printed onto a substrate, the polycarbodiimide groups can chemically react to enhance the durability of the printed image.

  本发明涉及一种喷墨墨水，该墨水包含含有聚碳二亚胺基团的成分，还涉及包含该墨水的各种墨水组，包括一种含有至少一种共反应墨水的墨水组，以及一种使用该墨水和墨水组进行印刷的方法。当油墨印刷到承印物上时，聚碳二亚胺基团可发生化学反应，以提高印刷图像的耐久性。