2-Oxazolamine, 4,5-dihydro-4,4-dimethyl-N-phenyl- | 91180-73-3

• 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: 2-Oxazolamine, 4,5-dihydro-4,4-dimethyl-N-phenyl-
• 英文别名: 4,4-dimethyl-N-phenyl-5H-1,3-oxazol-2-amine
• CAS: 91180-73-3
• 化学式: C₁₁H₁₄N₂O
• mdl: MFCD24393841
• 分子量: 190.245
• InChiKey: ZJHZWLBHXRUZSD-UHFFFAOYSA-N

物化性质

• 熔点：
  127-128 °C
• 沸点：
  261.2±23.0 °C(Predicted)
• 密度：
  1.10±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  33.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  [Zr(η⁵-C₅Me₅)(NMe₂)₃] 、 2-Oxazolamine, 4,5-dihydro-4,4-dimethyl-N-phenyl- 以 氘代苯 为溶剂， 生成
  参考文献：
  名称：

  Chiral Alkoxide-Functionalized Guanidinates from Ring-Opening Rearrangement of Aminooxazolinate Complexes

  摘要：

  Treatment of Cp*M(NMe2)(3) (M = Zr, Hf) with both achiral and optically pure chiral aminooxazoline proligands HL yields metastable aminooxazolinate half-sandwich diamide complexes [Cp*ML(NMe2)(2)]. These species undergo clean rearrangement via oxazoline ring-opening to carbodiimides followed by amide migratory insertion. The chiral-at-metal products contain tridentate alkoxide-functionalized guanidinates, as confirmed by X-ray diffraction. In some of the chiral ligand systems, single diastereomer samples can be prepared, either by direct reaction or after recrystallization. As a result of the chelate structure, no thermal conversion between diastereomers is observed. A mechanism leading to the observed diastereoselection involving an intramolecular CH-pi interaction in the major product is proposed.

  DOI：

  10.1021/om0607649
• 作为产物：
  描述：

  N-[(1,1-dimethyl-2-hydroxy)ethyl]-N'-phenylthiourea 在 水 、 对甲苯磺酰氯 、 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 2-Oxazolamine, 4,5-dihydro-4,4-dimethyl-N-phenyl-
  参考文献：
  名称：

  用于丙交酯开环聚合的氨基恶唑啉和氨基噻唑啉有机催化剂的开发

  摘要：

  据报道，一系列氨基-恶唑啉和氨基-噻唑啉催化剂使丙交酯开环聚合。分子量较高的单体与单体转化率和单体引发剂比率之间的线性关系证明，电子含量更高的衍生物具有最高的活性，并且聚合反应得到了很好的控制。机理研究表明，单体，引发剂和催化剂之间存在显着的相互作用，并且相对于这些组分中的每一种，聚合反应都是一阶的。这些观察结果表明聚合反应是通过一般的碱/假阴离子机理进行的。

  DOI：

  10.1002/chem.200902518

文献信息

• Method for reducing the terminal carboxyl group content of a saturated polyester, a saturated polyester having a reduced terminal carboxyl group content, and a molded article composed of such a saturated polyester
  申请人：TEIJIN LIMITED

  公开号：EP0030350A1

  公开（公告）日：1981-06-17

  Saturated polyesters having a reduced terminal carboxyl group content are produced by reacting a carboxyl-terminated, substantially linear, fiber-forming saturated polyester with a monocyclic imino ether compound of the formula e.g. or The monocyclic imino ether compound may be added in a melt-molding machine at a temperature above the temperature at which the saturated polyester melts, or a molded article composed of a carboxyl-terminated, substantially linear, fiber-forming saturated polyester may be treated with the monocyclic imino ether compound.

  末端羧基含量较低的饱和聚酯是通过将羧基末端的、基本线性的、可成纤维的饱和聚酯与式 如下的单环亚胺醚化合物反应制得的 例如 或 单环亚胺醚化合物可在高于饱和聚酯熔化温度的熔融成型机中加入，或者用单环亚胺醚化合物处理由羧基封端、基本线性、成纤的饱和聚酯组成的成型制品。
• A convenient method for the synthesis of 2-amino substituted aza-heterocycles from N,N′-disubstituted thioureas using TsCl/NaOH
  作者：Uwe Heinelt、Daniela Schultheis、Siegfried Jäger、Marion Lindenmaier、Annett Pollex、Henning S.g. Beckmann

  DOI：10.1016/j.tet.2004.08.031

  日期：2004.10

  p-Toluenesulfonyl chloride (TsCl)/NaOH has been introduced as reagent combination for the synthesis of 2-amino-oxa- or 2-amino-thiazolidines from N-(2-hydroxyethyl)-thioureas, but its general application in heterocycle synthesis has not been investigated. In this paper the convenient and efficient synthesis of a variety of 2-amino-substituted 1-aza 3-(aza, oxo or thio) heterocycles of different substitution and ring sizes is described. The application of polymer-supported TsCl facilitates work-up and renders the reaction conditions very suitable for parallel or robot synthesis. (C) 2004 Elsevier Ltd. All rights reserved.
• Investigation of the Mitsunobu Reaction of<i>N</i>-(2-Hydroxyethyl)-<i>N′</i>-Phenyl-Ureas
  作者：Taek Hyeon Kim、Gue-Jae Lee、Mi-Hyun Cha

  DOI：10.1080/00397919908086441

  日期：1999.8

  The Mitsunobu reaction of N-(2-hydroxyethyl)-ureas 1 using PPh3 and EtO2CN=NCO2Et led to the mixture of N- and O-alkylation products or a single isomer depending on the substrates.
• A mild cyclodesulfurization of N-(2-hydroxyethyl)-N′-phenylthioureas to 2-phenylamino-2-oxazolines using TsCl/NaOH
  作者：Taek Hyeon Kim、Namgun Lee、Gue-Jae Lee、Jae Nyoung Kim

  DOI：10.1016/s0040-4020(01)00682-2

  日期：2001.8

  An efficient synthesis of 2-phenylamino-2-oxazolines 3 via cyclodesulfurization of N-(2-hydroxyethyl)-N ' -phenylthioureas 2 by a one-pot reaction using p-toluenesulfonyl chloride (TsCl) and NaOH in very good yields is described. (C) 2001 Elsevier Science Ltd. All rights reserved.
• 1014. 2-Amino-2-imidazolines and 2-amino-2-oxazolines
  作者：B. Adcock、Alexander Lawson、D. H. Miles

  DOI：10.1039/jr9610005120

  日期：——