(9ci)-1-(1-甲基-2-丙烯基)-1H-咪唑 | 62366-42-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: (9ci)-1-(1-甲基-2-丙烯基)-1H-咪唑
• 英文名称: 1-(1-methyl-allyl)-1H-imidazole
• 英文别名: 1-But-3-en-2-ylimidazole
• CAS: 62366-42-1
• 化学式: C₇H₁₀N₂
• 分子量: 122.17
• InChiKey: PXCBDUXMKGCEOG-UHFFFAOYSA-N

物化性质

• 沸点：
  219.1±19.0 °C(Predicted)
• 密度：
  0.93±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2933290090

反应信息

• 作为反应物：
  描述：

  呋喃甲酰氯 、 (9ci)-1-(1-甲基-2-丙烯基)-1H-咪唑 在 三乙胺 作用下， 以 乙腈 为溶剂， 生成 furan-2-yl-[1-(1-methyl-allyl)-1H-imidazol-2-yl]-methanone
  参考文献：
  名称：

  Regel,E.; Buechel,K.-H., Justus Liebigs Annalen der Chemie, 1977, p. 145 - 158

  摘要：

  DOI：
• 作为产物：
  描述：

  咪唑 、 (±)-but-3-en-2-yl 1-imidazolecarboxylate 以 氘代乙腈 为溶剂， 反应 16.0h， 生成 (9ci)-1-(1-甲基-2-丙烯基)-1H-咪唑
  参考文献：
  名称：

  On the reactivity of imidazole carbamates and ureas and their use as esterification and amidation reagents

  摘要：

  The optimization, substrate scope, and mechanism of esterification and amidation of carboxylic acids mediated by imidazole-based reagents are discussed. The innate reactivity of carbonylimidazole reagents with a range of nucleophiles is also explored. New reagents developed for the synthesis of alpha,beta-unsaturated esters are described, as are reagents for the preparation of tertiary amides directly from carboxylic acids. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.09.057

文献信息

• Palladium-Catalyzed Dehydrative Cross-Coupling of Allylic Alcohols and <i>N</i>-Heterocycles Promoted by a Bicyclic Bridgehead Phosphoramidite Ligand and an Acid Additive
  作者：Kyungjun Kang、Jaewook Kim、Ansoo Lee、Woo Youn Kim、Hyunwoo Kim

  DOI：10.1021/acs.orglett.6b00001

  日期：2016.2.5

  A mild and efficient dehydrative cross-coupling reaction between allylic alcohols and N-heterocycles using palladium catalysis is reported. A bicyclic bridgehead phosphoramidite (briphos) ligand together with Pd(dba)2 is a highly efficient catalyst, and an acid additive involved in the rate-determining step promotes the catalytic cycle. The coupling reaction of allylic alcohols with N-heterocycles

  报道了使用钯催化的在烯丙基醇和N-杂环之间的温和且有效的脱水交叉偶联反应。双环桥头亚磷酰胺（briphos）配体与Pd（dba）2一起是高效催化剂，速率确定步骤中涉及的酸添加剂促进了催化循环。烯丙基醇与包括咪唑，苯并咪唑和三唑的N-杂环的偶合反应在温和的反应条件下进行，使用钯/硫磷和五氟苯酚的收率很高。
• Process for the preparation of N,N-diisopropyl-3-(2-hydroxy-5-methylphenyl)-3-phenyl-propaneamine
  申请人：Turchetta Stefano

  公开号：US20060079716A1

  公开（公告）日：2006-04-13

  A process is described for the preparation of N,N-diisopropyl-3-(2-hydroxy-5-methylphenyl)-3-phenyl-propaneamine comprising substitution of the sulfonyloxy group of the compound of the formula in which the substituents R and R″ have the meanings stated in the description, in a solvent comprising an ionic liquid, to yield the tertiary amine of the formula and the subsequent deprotection thereof.

  描述了一种制备N，N-二异丙基-3-(2-羟基-5-甲基苯基)-3-苯基-丙胺的过程，包括在含有离子液体的溶剂中，通过替代具有所述描述中所述的R和R″含义的化合物的磺酰氧基来产生该化合物的三级胺，以及随后的去保护步骤。
• RESIN COMPOSITION FOR OPTICAL MOLDING
  申请人：Kuraray Noritake Dental Inc.

  公开号：EP3900693A1

  公开（公告）日：2021-10-27

  The present invention provides a resin composition for optical shaping that emits a weaker odor, enables easy fabrication of an object by virtue of its low viscosity, and can be made into a fabricated product having desirable toughness and water resistance when used for stereolithographic fabrication (particularly by vat stereolithography) and that is particularly suited for dental occlusal splints, mouth guards, and denture base materials. The present invention relates to a resin composition for optical shaping comprising: an α,β-unsaturated double bond group-containing compound (A) having a ring structure (a) containing a nitrogen atom; a (meth)acrylic acid ester compound (B) having a boiling point of 280°C or more at normal pressure, having a carbocyclic group, and having no nitrogen-containing heterocyclic group; a photopolymerization initiator (C); and optionally, a polyfunctional polymerizable monomer (E) having a molecular weight of 500 or less and not comprised in the α,β-unsaturated double bond group-containing compound (A) and the (meth)acrylic acid ester compound (B), wherein the content of the polyfunctional polymerizable monomer (E) having a molecular weight of 500 or less is 20 mass% or less relative to the total amount of polymerizable compounds comprised in the resin composition for optical shaping.

  本发明提供了一种用于光学整形的树脂组合物，该组合物散发的气味较弱，因其粘度低而易于制造物体，在用于立体光刻制造（特别是大桶立体光刻）时，可制成具有理想韧性和耐水性的制成品，特别适用于牙科咬合夹板、护齿板和义齿基底材料。本发明涉及一种用于光学塑形的树脂组合物，包括具有含氮原子的环结构 (a) 的含 α、β-不饱和双键基团的化合物 (A)；(甲基) 丙烯酸酯化合物 (B)，在常压下的沸点为 280°C 或更高，具有碳环基团，且不含含氮杂环基团；光聚合引发剂 (C)；以及可选的分子量为 500 或以下且不包含在含α，β-不饱和双键基团的化合物（A）和（甲基）丙烯酸酯化合物（B）中的多功能可聚合单体（E），其中分子量为 500 或以下的多功能可聚合单体（E）的含量占光学成型用树脂组合物中可聚合化合物总量的 20% 或以下。
• A LIQUID COMPOSITION COMPRISING POLYMER CHAINS AND PARTICLES OF AN INORGANIC MATERIAL IN A LIQUID
  申请人：Nederlandse Organisatie voor toegepast- natuurwetenschappelijk onderzoek TNO

  公开号：EP2285883B1

  公开（公告）日：2017-12-27
• RESIN COMPOSITION FOR OPTICAL SHAPING
  申请人：KURARAY NORITAKE DENTAL INC.

  公开号：US20220041777A1

  公开（公告）日：2022-02-10

  A resin composition for optical shaping comprising: an α,β-unsaturated double bond group-containing compound (A) having a ring structure (a) containing a nitrogen atom; a (meth)acrylic acid ester compound (B) having a boiling point of 280° C. or more at normal pressure, having a carbocyclic group, and having no nitrogen-containing heterocyclic group; a photopolymerization initiator (C); and optionally, a polyfunctional polymerizable monomer (E) having a molecular weight of 500 or less and not comprised in the α,β-unsaturated double bond group-containing compound (A) and the (meth)acrylic acid ester compound (B), wherein the content of the polyfunctional polymerizable monomer (E) having a molecular weight of 500 or less is 20 mass % or less relative to the total amount of polymerizable compounds comprised in the resin composition for optical shaping.