(E)-2-((1-hydroxy-2-methylpropan-2-ylimino)methyl)phenol | 132995-08-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: (E)-2-((1-hydroxy-2-methylpropan-2-ylimino)methyl)phenol
• CAS: 132995-08-5
• 化学式: C₁₁H₁₅NO₂
• 分子量: 193.246
• InChiKey: QQVOFEJROSOTNL-KPKJPENVSA-N

物化性质

• 沸点：
  326.5±27.0 °C(Predicted)
• 密度：
  1.04±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.58
• 重原子数：
  14.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  52.82
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (E)-2-((1-hydroxy-2-methylpropan-2-ylimino)methyl)phenol 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 以90%的产率得到Phenol, 2-[[(2-hydroxy-1,1-dimethylethyl)amino]methyl]-
  参考文献：
  名称：

  Racemization of secondary alcohols catalyzed by ruthenium: application to chemoenzymatic dynamic resolution

  摘要：

  In this paper, we have shown that the [RuCl2(p-cymene)](2) complex associated with simple hemisalen ligands is able to racemize (S)-1-phenylethanol. The influence on the racemization process of the ligand's structure as well as the nature of a co-catalyst have been evaluated and optimized. This [RuCl2(p-cymene)](2)/Ligand/TEMPO racemization system was then associated with the Candida Antarctica B lipase in order to carry out dynamic kinetic resolution experiments on rac-phenylethanol. This led us to identify the best conditions for effective DKR, which was then applied to various secondary benzylic and aliphatic alcohols. It was thus possible to obtain (R)-1-cyclohexylethyl acetate from rac-1-cyclohexylethanol in quantitative conversion and with high enantioselectivity (98%). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2011.10.007
• 作为产物：
  描述：

  水杨醛 、 2-氨基-2-甲基-1-丙醇 以 乙醇 为溶剂， 反应 1.0h， 生成 (E)-2-((1-hydroxy-2-methylpropan-2-ylimino)methyl)phenol
  参考文献：
  名称：

  1,3-噻唑烷的环链互变异构

  摘要：

  NMR光谱用于研究几种取代的1,3-噻唑烷中的环链互变异构平衡。该系统高度偏爱的环形式并且仅在2-（2-的情况下“ -羟基，5 ”溴苯基）-1,3-苯并噻唑线（2D）1 H和13 C NMR光谱显示的可检测量的开链互变异构体。1，3-噻唑烷环的相对稳定性估计比1，3-恶唑烷环的相对稳定性高10 4倍以上。

  DOI：

  10.1016/s0040-4020(01)96019-3
• 作为试剂：
  描述：

  乙酸-4-氯苯酯 、 4-甲氧基-α-甲基苯甲醇 在 2,2,6,6-四甲基哌啶氧化物 、 Candida antarctica B lipase 、 二氯(p-甲基异丙苯)钌(II) 二聚体 、 (E)-2-((1-hydroxy-2-methylpropan-2-ylimino)methyl)phenol 作用下， 以 甲苯 为溶剂， 反应 72.0h， 生成 (S)-1-(4-methoxyphenyl)ethyl acetate 、 (1R)-1-(4-methoxyphenyl)ethyl acetate 、 对甲氧基苯乙酮
  参考文献：
  名称：

  Racemization of secondary alcohols catalyzed by ruthenium: application to chemoenzymatic dynamic resolution

  摘要：

  In this paper, we have shown that the [RuCl2(p-cymene)](2) complex associated with simple hemisalen ligands is able to racemize (S)-1-phenylethanol. The influence on the racemization process of the ligand's structure as well as the nature of a co-catalyst have been evaluated and optimized. This [RuCl2(p-cymene)](2)/Ligand/TEMPO racemization system was then associated with the Candida Antarctica B lipase in order to carry out dynamic kinetic resolution experiments on rac-phenylethanol. This led us to identify the best conditions for effective DKR, which was then applied to various secondary benzylic and aliphatic alcohols. It was thus possible to obtain (R)-1-cyclohexylethyl acetate from rac-1-cyclohexylethanol in quantitative conversion and with high enantioselectivity (98%). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2011.10.007

文献信息

• Ring-chain tautomerism in 1,3-thiazolidines
  作者：Ferenc Fülöp§、Jorma Mattinen、Kalevi Pihlaja

  DOI：10.1016/s0040-4020(01)96019-3

  日期：1990.1

  NMR spectroscopy was applied to study ring-chain tautomeric equilibria in several substituted 1,3-thiazolidines. The system highly prefers the ring form and only in the case of 2-(2'-hydroxy,5'-bromophenyl)-l,3-benzothiazo-line (2d) 1H and 13C NMR spectra revealed a detectable amount of the openchain tautomer. The relative stability of the 1,3-thiazolidine ring was estimated to be more than 104 times

  NMR光谱用于研究几种取代的1,3-噻唑烷中的环链互变异构平衡。该系统高度偏爱的环形式并且仅在2-（2-的情况下“ -羟基，5 ”溴苯基）-1,3-苯并噻唑线（2D）1 H和13 C NMR光谱显示的可检测量的开链互变异构体。1，3-噻唑烷环的相对稳定性估计比1，3-恶唑烷环的相对稳定性高10 4倍以上。
• Method for producing sulfoxide derivative
  申请人：KUMIAI CHEMICAL INDUSTRY CO., LTD.

  公开号：US10577313B2

  公开（公告）日：2020-03-03

  A method for producing a sulfoxide derivative represented by general formula (1), the method being characterized in that a sulfide derivative represented by general formula (2) is reacted with an oxidizing agent in the presence of a catalyst that is a metal-ligand complex containing a metal compound and, as a ligand, a compound represented by general formula (3), and in the presence of a benzoic acid compound represented by general formula (4)

  一种生产通式（1）所代表的亚砜衍生物的方法、 该方法的特征在于，由通式（2）表示的硫醚衍生物 在催化剂存在下与氧化剂反应，催化剂是一种金属-配体络合物，其中包含一种金属化合物和作为配体的通式 (3) 所代表的化合物、 和通式 (4) 所代表的苯甲酸化合物的存在下
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  申请人：University of Kentucky Research Foundation

  公开号：US20150196875A1

  公开（公告）日：2015-07-16

  A method and catalysts for increasing the overall mass transfer rate of acid gas scrubbing solids is disclosed. Various catalyst compounds for that purpose are also disclosed.
• PROCESS FOR PREPARATION OF AMINO ALCOHOLS
  申请人：BASF SE

  公开号：US20210155575A1

  公开（公告）日：2021-05-27

  A process for the preparation of amino alcohols includes condensing a compound of Formula (II), a stereoisomer, a tautomer, or a salt thereof with a compound of Formula (IIIa) or Formula (IIIb), a stereoisomer, a tautomer, or a salt thereof to form a condensation product; hydroxylating or acyloxylating the condensation product in the presence of an oxidant to obtain a hydroxylation or acyloxylation product; and subjecting the hydroxylation or acyloxylation product to one or more subsequent reactions comprising a hydrolysis reaction, alcohol deprotection, an amino lysis reaction, or a combination of two or more thereof to obtain an amino alcohol of Formula (I).
• US9957284B2
  申请人：——

  公开号：US9957284B2

  公开（公告）日：2018-05-01