2-(4-isopropoxyphenyl)ethanamine | 88655-02-1

• 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-(4-isopropoxyphenyl)ethanamine
• 英文别名: 2-(4-isopropoxyphenyl)ethylamine；2-(4-isopropoxylphenyl)ethylamine；2-(4-propan-2-yloxyphenyl)ethanamine
• CAS: 88655-02-1
• 化学式: C₁₁H₁₇NO
• mdl: MFCD03444569
• 分子量: 179.262
• InChiKey: PNHKLHKLRYLHAQ-UHFFFAOYSA-N

物化性质

• 沸点：
  275.7±15.0 °C(Predicted)
• 密度：
  0.977±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2922299090

反应信息

• 作为反应物：
  描述：

  2-(4-isopropoxyphenyl)ethanamine 在 硫酸 作用下， 以 甲醇 、 溶剂黄146 为溶剂， 反应 35.0h， 生成 2,4(1H,3H)-Pyrimidinedione, dihydro-1-(2-(4-(1-methylethoxy)phenyl)ethyl)-
  参考文献：
  名称：

  Pyrimidines LIX. Synthesis and biological properties of N-substituted dihydrouracils and dihydrothiouracils

  摘要：

  DOI：

  10.1007/bf00765024
• 作为产物：
  描述：

  1-isopropoxy-4-(2-nitrovinyl)benzene 在 lithium aluminium tetrahydride 、 水 作用下， 以 四氢呋喃 为溶剂， 以73%的产率得到2-(4-isopropoxyphenyl)ethanamine
  参考文献：
  名称：

  Total Synthesis of (±)-Armepavines and (±)-Nuciferines From (2-Nitroethenyl)benzene Derivatives

  摘要：

  A concise route to armepavine 1 and nuciferine 2 and 3, which can be isolated from the leaves of Nelumbo nucifera (Nymphaceae), has been achieved in which the longest linear sequence is only six steps from commercially available benzaldehyde in 28%, 21%, and 20% overall yield, respectively. The key transformations in the synthesis are the radical cyclization of aryl bromide with Bu3SnH and the Pictet-Spengler reaction of N-substituted amine with aldehyde.

  DOI：

  10.1080/00397910903435411

文献信息

• New Umami Amides: Structure–Taste Relationship Studies of Cinnamic Acid Derived Amides and the Natural Occurrence of an Intense Umami Amide in <i>Zanthoxylum piperitum</i>
  作者：Eric Frerot、Nathalie Neirynck、Isabelle Cayeux、Yoyo Hui-Juan Yuan、Yong-Ming Yuan

  DOI：10.1021/acs.jafc.5b02359

  日期：2015.8.19

  A series of aromatic amides were synthesized from various acids and amines selected from naturally occurring structural frameworks. These synthetic amides were evaluated for umami taste in comparison with monosodium glutamate. The effect of the substitution pattern of both the acid and the amine parts on umami taste was investigated. The only intensely umami-tasting amides were those made from 3,4-dimethoxycinnamic

  由选自天然结构框架的各种酸和胺合成了一系列芳族酰胺。与谷氨酸钠相比，评估了这些合成酰胺的鲜味。研究了酸和胺部分的取代方式对鲜味的影响。唯一强烈的鲜味酰胺是由3,4-二甲氧基肉桂酸制成的酰胺。胺部分对结构变化更耐受。带有烷基或烷氧基取代的苯乙胺残基的酰胺在水中以20 ppm的溶液显示出纯净的鲜味。随后使用超高效液相色谱仪和高四极杆Orbitrap质谱仪（UPLC / MS）来显示这些酰胺的天然存在。（E）-3-（3,4-二甲氧基苯基）-N-（4-甲氧基苯乙基）丙烯酰胺显示在花椒科的根和茎中，该花科是在韩国，日本和中国生长的芸香科植物。
• Diastereoselective Synthesis of (±)-Heliotropamide by a One-Pot, Four-Component Reaction
  作者：Ashkaan Younai、Gregory F. Chin、Jared T. Shaw

  DOI：10.1021/jo1019317

  日期：2010.12.3

  The first synthesis of heliotropamide is reported. The preparation of this 2-oxopyrrolidine (γ-lactam) natural product relied on a diastereoselective one-pot, four-component reaction (4CR) for the assembly of the core structure. On the basis of chemical shift correlation and NOESY experiments, the previously unknown alkene geometry of heliotropamide is assigned as E.

  报道了对硫代托酰胺的首次合成。该2-氧杂吡咯烷（γ-内酰胺）天然产物的制备依赖于非对映选择性的一锅四组分反应（4CR）来组装核心结构。在化学位移相关性，NOESY实验的基础上，heliotropamide先前未知的烯烃几何被指定为ë。
• PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS
  申请人：Mills Sander G.

  公开号：US20110218177A1

  公开（公告）日：2011-09-08

  The compounds of Formula I are pro-drugs of CETP inhibitors having a central oxazolidinone ring. The compounds cyclize by the elimination of HX to form an oxazolidinone ring after administration to a patient.

  公式I的化合物是具有中心噁唑烷环的CETP抑制剂前药。这些化合物在给患者使用后通过HX的消除环化形成噁唑烷环。
• 3-AMIDINOBENZENESULFONAMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES IN THE PRODUCTION THEREOF
  申请人：Kissei Pharmaceutical Co., Ltd.

  公开号：EP1174421A1

  公开（公告）日：2002-01-23

  The present invention relates to 3-amidinobenzenesulfonamide derivatives represented by the general formula: wherein R1 represents a hydrogen atom or a hydroxy group; Y represents a single bond or an oxygen atom; and R2 represents a lower alkyl group or a group represented by the general formula: (wherein n represents 1 or 2; and T represents a hydrogen atom, a lower acyl group, a halo (lower acyl) group or a group represented by the general formula:         -C(=NH)-W (wherein W represents a lower alkyl group)), and pharmaceutically acceptable salts thereof, which have an excellent activated blood coagulation factor X inhibitory activity and are useful as activated blood coagulation factor X inhibitors, and to pharmaceutical compositions comprising the same and intermediates thereof.

  本发明涉及通式代表的 3-脒基苯磺酰胺衍生物： 其中R1代表氢原子或羟基；Y代表单键或氧原子；R2代表低级烷基或通式所代表的基团： (其中 n 代表 1 或 2；T 代表氢原子、低级酰基、卤代（低级酰基）基团或通式所代表的基团： -C(=NH)-W (其中 W 代表低级烷基））及其药学上可接受的盐，它们具有优异的活化血液凝固因子 X 抑制活性，可用作活化血液凝固因子 X 抑制剂，以及包含上述物质及其中间体的药物组合物。
• Taste modifying product
  申请人：Firmenich SA

  公开号：EP2912954A1

  公开（公告）日：2015-09-02

  The present invention relates to the use of a compound according to formula (I) in the form of any one of its stereoisomers or a mixture thereof, and wherein n is an integer from 0 to 2; the dotted line represents a carbon-carbon single or double bond; and each of R1 to R4, when taken independently from each other, represents a hydrogen atom or represents a R5 or OR5 group, R5 representing a C1 to C5, or even a C1 to C3, alkyl group; and optionally one of the groups R1 to R4 represents -OH; and/or when R1 and R2 are taken together, and/or R3 and R4 are taken together, represent a OCH2O group, provided said groups taken together are adjacent substituents of the phenyl group; as an ingredient to confer, enhance, improve or modify the kokumi or umami taste of a flavored article.

  本发明涉及一种符合式 (I) 的化合物的用途 以其任意一种立体异构体或其混合物的形式，其中 n 是 0 至 2 的整数； 虚线代表碳-碳单键或双键；当 R1 至 R4 各自独立存在时，代表氢原子或代表 R5 或 OR5 基团，R5 代表 C1 至 C5，甚至 C1 至 C3 烷基；R1 至 R4 基团中任选一个代表 -OH；和/或当 R1 和 R2 结合在一起时，和/或 R3 和 R4 结合在一起时，代表 OCH2O 基团，条件是上述结合在一起的基团是苯基的相邻取代基； 作为一种配料，赋予、增强、改善或改变调味品的 Kokumi 或鲜味。