1(E)-<(ethoxycarbonyl)amino>-1,3-butadiene | 61759-61-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1(E)-<(ethoxycarbonyl)amino>-1,3-butadiene
• 英文别名: 1-ethoxycarbonylaminobuta-1,3-diene；Ethyl-trans-1,3-butadienyl-1-carbamat；Ethyl-trans-1,3-butadien-1-carbamat；Carbamic acid, 1,3-butadienyl-, ethyl ester, (E)-；ethyl N-[(1E)-buta-1,3-dienyl]carbamate
• CAS: 61759-61-3
• 化学式: C₇H₁₁NO₂
• 分子量: 141.17
• InChiKey: XETZLCYONPVAHN-AATRIKPKSA-N

物化性质

• 熔点：
  44-45 °C(Solv: hexane (110-54-3); ethyl ether (60-29-7))
• 沸点：
  196.5±13.0 °C(Predicted)
• 密度：
  0.972±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-乙基马来酰亚胺 、 1(E)-<(ethoxycarbonyl)amino>-1,3-butadiene 在 antibody H₁₁ 作用下， 以 乙腈 为溶剂， 生成 (2-Ethyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)-carbamic acid ethyl ester
  参考文献：
  名称：

  抗体H11催化反应的特异性

  摘要：

  已经研究了抗体H11（其被升高为1-乙酰氧基-丁-1,3-二烯1的加合物的蛋白质缀合衍生物）催化的反应的底物特异性和立体化学过程。该抗体显示出对乙酰氧基丁二烯的高选择性，并水解为相应的二烯醇，这是观察到的环加成反应的主要二烯组分。但是，它可以耐受一定范围的N-烷基马来酰亚胺。环加成的立体化学过程被示出，以产生显著对映体过量3a的- [R，4小号，7α - [R -内切-非对映异构体，通过Mosher酯衍生物进行分析。该研究还揭示了H11能够缓慢催化N-烷基马来酰亚胺底物的水解。讨论了对H11的作用机理的意义。

  DOI：

  10.1016/s0040-4020(99)01037-6
• 作为产物：
  描述：

  乙醇 、 2,4-戊二烯酸 生成 1(E)-<(ethoxycarbonyl)amino>-1,3-butadiene
  参考文献：
  名称：

  N-acyl-1-amino-1,3-dienes: 1-amino-1,3-diene synthetic equivalents for the diels-alder reaction

  摘要：

  DOI：

  10.1016/s0040-4039(00)93849-8

文献信息

• BIS-PHOSPHATE COMPOUND AND ASYMMETRIC REACTION USING THE SAME
  申请人：Terada Masahiro

  公开号：US20120330038A1

  公开（公告）日：2012-12-27

  A novel bis-phosphate compound is provided which can be applied to a wide range of reactive substrates and reactions as an asymmetric reaction catalyst and can realize an asymmetric reaction affording a high yield and a high enantiomeric excess. The bis-phosphate compound has a tetraaryl skeleton represented by General Formula (1). In an asymmetric reaction, an amidodiene and an unsaturated aldehyde compound are reacted with each other in the presence of the optically active bis-phosphate compound to give an optically active amidoaldehyde. The invention allows a reaction such as an asymmetric Diels-Alder reaction to proceed efficiently, which has been difficult with conventional mono-phosphate compounds. Thus, the invention enables an industrially feasible method for the production of optically active amidoaldehydes, optically active β-amino acid derivatives, optically active diamine compounds, optically active pyrrolidine derivatives and optically active dihydropyran derivatives which are useful as products such as medicines, agricultural chemicals and chemical products as well as synthesis intermediates for such products.

  提供了一种新型的双磷酸盐化合物，可应用于广泛的反应底物和反应作为不对称反应催化剂，并且可以实现产率高和对映体过量高的不对称反应。该双磷酸盐化合物具有由通用式（1）表示的四芳基骨架。在不对称反应中，存在光学活性的双磷酸盐化合物的情况下，通过使酰胺二烯和不饱和醛化合物相互反应，得到光学活性的酰胺醛。该发明使得像不对称Diels-Alder反应这样的反应能够高效进行，而传统的单磷酸盐化合物很难实现。因此，该发明实现了一种工业上可行的方法，用于生产用作药品、农药和化工产品以及用于这些产品的合成中间体的光学活性酰胺醛、光学活性β-氨基酸衍生物、光学活性二胺化合物、光学活性吡咯烷衍生物和光学活性二氢吡喃衍生物。
• Epimeric cis-decahydroquinoline-5-carboxylic acids: effects on .gamma.-aminobutyric acid uptake and receptor binding in vitro
  作者：Donald T. Witiak、Kuniyuki Tomita、Raymond J. Patch、S. J. Enna

  DOI：10.1021/jm00139a005

  日期：1981.7

  isomers have little affinity for GABA receptors in vitro relative to GABA agonists. However, expected but weak stereoselective activity was observed when these analogues were assessed for their ability to inhibit high-affinity [3H]GABA uptake into rat brain synaptosomes. These data are discussed in light of structure-activity studies of other neurotransmitter analogues, and a preliminary hypothesis based

  描述了两个包含= N（C）3CO2H（γ-氨基丁酸； GABA）部分的顺式-十氢喹啉-5-羧酸差向异构体（1和2）的合成。分子内和分子间[4 + 2]环加成反应均用于构建关键中间体。1 H NMR研究为两种非对映异构体的优选溶液构象提供了证据。药理研究表明，相对于GABA激动剂，这些异构体对GABA受体的体外亲和力很小。但是，当评估这些类似物抑制大鼠脑突触体中高亲和力[3H] GABA摄取的能力时，观察到了预期的但较弱的立体选择性活性。根据其他神经递质类似物的结构活性研究讨论了这些数据，
• BISPHOSPHATE COMPOUND AND ASYMMETRIC REACTION USING SAME
  申请人：National University Corporation Tohoku University

  公开号：EP2546257A1

  公开（公告）日：2013-01-16

  A novel bis-phosphate compound is provided which can be applied to a wide range of reactive substrates and reactions as an asymmetric reaction catalyst and can realize an asymmetric reaction affording a high yield and a high enantiomeric excess. The bis-phosphate compound has a tetraaryl skeleton represented by General Formula (1). In an asymmetric reaction, an amidodiene and an unsaturated aldehyde compound are reacted with each other in the presence of the optically active bis-phosphate compound to give an optically active amidoaldehyde. The invention allows a reaction such as an asymmetric Diels-Alder reaction to proceed efficiently, which has been difficult with conventional mono-phosphate compounds. Thus, the invention enables an industrially feasible method for the production of optically active amidoaldehydes, optically active β-amino acid derivatives, optically active diamine compounds, optically active pyrrolidine derivatives and optically active dihydropyran derivatives which are useful as products such as medicines, agricultural chemicals and chemical products as well as synthesis intermediates for such products.

  本发明提供了一种新型双磷酸盐化合物，它可作为不对称反应催化剂应用于多种反应底物和反应，并能实现不对称反应，产生高产率和高对映体过量。双磷酸酯化合物具有通式（1）表示的四芳基骨架。在不对称反应中，氨基二烯和不饱和醛化合物在光学活性双磷酸盐化合物存在下相互反应，生成光学活性氨基醛。本发明可使诸如不对称 Diels-Alder 反应之类的反应高效进行，而传统的单磷酸盐化合物很难进行这种反应。因此，本发明为生产光学活性氨基醛、光学活性β-氨基酸衍生物、光学活性二胺化合物、光学活性吡咯烷衍生物和光学活性二氢吡喃衍生物提供了一种工业上可行的方法，这些衍生物可用作药物、农药和化学产品等产品以及这些产品的合成中间体。
• Articles and methods of wrapping a substrate with a polymeric structure
  申请人：3M INNOVATIVE PROPERTIES COMPANY

  公开号：US10030791B2

  公开（公告）日：2018-07-24

  Articles are provided, having a first substrate and a polymeric structure wrapped around the first substrate at least two full circuits. The polymeric structure has a length, a width and a thickness, and comprises a crosslinked polymeric layer uniaxially oriented in the width direction at a draw ratio of at least 1.2:1. The length is greater than the width. A method is also provided including providing a polymeric structure, wrapping the polymeric structure around a first substrate at least two full circuits, positioning the polymeric structure at least partially within an aperture defined by a second substrate, and subjecting the polymeric structure to an elevated temperature above the transition temperature of the crosslinked polymeric layer and below the degradation temperature of each of the components in the polymeric structure. The thickness of the polymeric structure increases, creating at least a partial joint between the first substrate and the second substrate.

  本发明提供的物品具有第一基底和包裹在第一基底周围至少两个完整回路的聚合物结构。聚合物结构具有长度、宽度和厚度，并包括以至少 1.2:1 的拉伸比在宽度方向单轴定向的交联聚合物层。长度大于宽度。还提供了一种方法，包括提供聚合结构，将聚合结构缠绕在第一基底上至少两圈，将聚合结构至少部分置于第二基底限定的孔内，并将聚合结构置于高于交联聚合层转变温度且低于聚合结构中各成分降解温度的高温下。聚合结构的厚度增加，在第一基底和第二基底之间至少形成部分接缝。
• Systems and methods for enabling appetite modulation and/or improving dietary compliance using an electro-dermal patch
  申请人：Elira, Inc.

  公开号：US10143840B2

  公开（公告）日：2018-12-04

  A wearable device for suppressing appetite or hunger in a patient includes a microprocessor, electrical stimulator and at least one electrode configured to deliver electrical stimulation to the epidermis, through a range of 0.1 mm to 10 mm or a range of 0.1 mm to 20 mm of the dermis, of a T2 frontal thoracic dermatome to a T12 frontal thoracic dermatome or meridian of the patient and/or front or back, C5-T1 dermatome across the hand and/or arm, and/or the upper chest regions. The device includes a pad, in which the electrode is disposed, for secure placement of the device on a skin surface of a patient. The device is adapted to provide electrical stimulation as per stimulation protocols and to communicate wirelessly with a companion control device configured to monitor and record appetite patterns of the patient. The control device is also configured to monitor, record, and modify stimulation parameters of the stimulation protocols.

  一种用于抑制患者食欲或饥饿感的可穿戴设备包括一个微处理器、电刺激器和至少一个电极，该电极被配置为通过0.1毫米至10毫米的范围或0.1毫米至20毫米的真皮层，向患者和/或前胸或后背的T2前胸皮层至T12前胸皮层或经络、横跨手和/或手臂的C5-T1皮层和/或上胸部区域的表皮层提供电刺激。该装置包括一个放置电极的垫子，用于将装置牢固地放置在患者的皮肤表面。该装置可根据刺激协议提供电刺激，并与配套的控制装置进行无线通信，该控制装置用于监控和记录患者的食欲模式。控制设备还被配置为监控、记录和修改刺激协议的刺激参数。