(R)-5-methoxy-3-phenyl-3,6-dihydro-2H-1,4-oxazine | 1246205-51-5

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: (R)-5-methoxy-3-phenyl-3,6-dihydro-2H-1,4-oxazine
• 英文别名: (3R)-5-methoxy-3-phenyl-3,6-dihydro-2H-1,4-oxazine
• CAS: 1246205-51-5
• 化学式: C₁₁H₁₃NO₂
• 分子量: 191.23
• InChiKey: NPQURFMMBQWJTN-JTQLQIEISA-N

物化性质

• 沸点：
  303.5±42.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  30.82
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (R)-5-methoxy-3-phenyl-3,6-dihydro-2H-1,4-oxazine 、 (Rp)-4-fluoro-12-formohydrazino[2.2]paracyclophane hydrochloride 在 原甲酸三乙酯 作用下， 以 甲醇 为溶剂， 以90%的产率得到C₂₇H₂₅FN₃O⁽¹⁺⁾*Cl^(1-)
  参考文献：
  名称：

  Synthesis of fluorine-substituted [2.2]paracyclophane-based carbene precursors for copper-catalyzed enantioselective boration of α,β-unsaturated ketones

  摘要：

  Fluorine-substituted [2.2]paracyclophane-based carbene precursors have been successfully synthesized and applied to copper-catalyzed asymmetric beta-boration of alpha,beta-unsaturated ketones. Fluorination of the planar chiral carbenes has a beneficial impact on the catalytic performance of the relevant complexes. A variety of chiral beta-boryl ketones were obtained in excellent yields (up to 99%) and with high enantioselectivities (up to 99% ee). (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2016.12.005
• 作为产物：
  描述：

  D-苯甘氨醇 在 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 16.0h， 生成 (R)-5-methoxy-3-phenyl-3,6-dihydro-2H-1,4-oxazine
  参考文献：
  名称：

  [EN] RIPK1 INHIBITORS AND METHODS OF USE
  [FR] INHIBITEURS DE RIPK1 ET PROCÉDÉS D'UTILISATION

  摘要：

  Described herein are compounds of Formula I or a pharmaceutically acceptable salt thereof. The compounds of Formula I act as RIPK1 inhibitors and can be useful in preventing, treating or acting as a remedial agent for RIPK1-related diseases.

  公开号：

  WO2023225041A1

文献信息

• Enantioselective β-Boration of Acyclic Enones by a [2.2]Paracyclophane-Based N-Heterocyclic Carbene Copper(I) Catalyst
  作者：Lei Zhao、Yudao Ma、Fuyan He、Wenzeng Duan、Jianqiang Chen、Chun Song

  DOI：10.1021/jo302694d

  日期：2013.2.15

  N-heterocyclic carbene (NHC) copper(I) complex generated in situ by the reaction of the triazolium salt and Cu2O was an efficient catalyst for the asymmetric β-boration of acyclic enones, producing β-boryl ketones in high yields and enantioselectivities.

  一种新的平面和中心手性双环1,2,4-三唑鎓盐是由[2.2]对环环烷和苯基甘醇合成的。三唑盐和Cu 2 O反应原位生成的N-杂环卡宾（NHC）铜（I）络合物是一种有效的催化剂，用于无环烯酮的不对称β-硼化，可高产率地生产β-硼酮和对映选择性。
• The first enantiomerically pure thiadiazol-3-one 1-oxide and thiatriaza-indene 3-oxide systems chiral at the sulfur atom
  作者：Benjamin R. Buckley、Stephen P. Neary、Mark R.J. Elsegood

  DOI：10.1016/j.tetasy.2010.07.025

  日期：2010.8

  The first synthesis of an enantiomerically pure C-2 symmetric benzothiadiazole 2-oxide is described along with the first synthesis of an enantiomerically thiadiazol-3-one 1-oxide and a thiatriaza-indene 3-oxide system both chiral at the sulfur atom. Excellent levels of diastereoselectivity were observed in the SO installation step, that is, the reaction of the prerequisite bis-amines with thionyl chloride at ambient temperature. (C) 2010 Elsevier Ltd. All rights reserved.