4-formaminobenzoyl-L-alanine decylester | 876665-73-5

• 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: 4-formaminobenzoyl-L-alanine decylester
• 英文别名: L-alanine-N-[4-(formylamino)benzoyl] decyl ester；decyl (2S)-2-[(4-formamidobenzoyl)amino]propanoate
• CAS: 876665-73-5
• 化学式: C₂₁H₃₂N₂O₄
• 分子量: 376.496
• InChiKey: HXGRRZMDZLSJHP-KRWDZBQOSA-N

物化性质

• 熔点：
  135.1-135.4 °C(Solv: hexane (110-54-3); ethyl acetate (141-78-6))
• 沸点：
  569.2±35.0 °C(Predicted)
• 密度：
  1.080±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  27
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  84.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-formaminobenzoyl-L-alanine decylester 在 三乙胺 、 三光气 作用下， 以 二氯甲烷 为溶剂， 反应 1.17h， 以82%的产率得到4-isocyanobenzoyl-L-alanine decylester
  参考文献：
  名称：

  聚异氰酸酯作为一种新的取向介质，可测量小有机分子的残留偶极联轴器

  摘要：

  发现聚异氰化物在磁场中具有各向异性的分子排列，可用于测量分析物（例如士的宁）的残留偶极偶合（RDC）。与其他液晶系统（例如，聚-γ-苄基-1-谷氨酸盐（PBLG））相比，它们显示出氘化溶剂信号的四极分裂少，因此线宽变小。

  DOI：

  10.1021/ol202547y
• 作为产物：
  描述：

  L-alanine decyl ester 在 palladium on activated charcoal 、 氢气 、 乙酸酐 、 1-羟基苯并三唑一水物 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 乙醇 、 N,N-二甲基乙酰胺 为溶剂， 反应 16.5h， 生成 4-formaminobenzoyl-L-alanine decylester
  参考文献：
  名称：

  Helix-Sense Controlled Polymerization of a Single Phenyl Isocyanide Enantiomer Leading to Diastereomeric Helical Polyisocyanides with Opposite Helix-Sense and Cholesteric Liquid Crystals with Opposite Twist-Sense

  摘要：

  We report the unprecedented helix-sense controlled polymerization of enantiomerically pure phenyl isocyanides bearing an l- or d-alanine pendant with a long alkyl chain. The polymerization with an achiral nickel catalyst diastereoselectively proceeds, resulting in either a right- or left-handed helical polymer, whose helix-sense can be controlled by the polymerization solvent and temperature. Both the diastereomeric right- and left-handed helical polymers further self-assemble into lyotropic cholesteric liquid crystals with opposite twist-senses. Consequently, the macromolecular helicity and mesoscopic, supramolecular cholesteric twist can be controlled by the molecular chirality of the pendant of a single enantiomeric phenyl isocyanide through the polymerization under either kinetic or thermodynamic control assisted by hydrogen bonds. High-resolution atomic force microscopy revealed their helical conformations and enabled the determination of the helical sense.

  DOI：

  10.1021/ja0576536

文献信息

• Biphasic Liquid Crystal and the Simultaneous Measurement of Isotropic and Anisotropic Parameters by Spatially Resolved NMR Spectroscopy
  作者：Malin Reller、Svenja Wesp、Martin R. M. Koos、Michael Reggelin、Burkhard Luy

  DOI：10.1002/chem.201702126

  日期：2017.9.27

  to derive the residual dipolar couplings. Here, we present the preparation, measurement, and interpretation of a novel biphasic liquid crystalline phase where a single sample can be used to generate both isotropic and anisotropic data. First, we introduce the synthesis of the chiral polymer leading to the biphasic liquid crystal. Second, we present two approaches to measure spatially selective CLIP-HSQC

  当常规技术无法满足要求时，残留的偶极偶合和其他各向异性NMR参数是阐明分子结构的有力工具。对于当前的液晶制备，有必要制备两个样品以从光谱中提取各向同性和各向异性数据并导出残留的偶极耦合。在这里，我们介绍了新型双相液晶相的制备，测量和解释，其中单个样品可用于生成各向同性和各向异性数据。首先，我们介绍了导致双相液晶的手性聚合物的合成。其次，我们提出了两种测量空间选择性CLIP-HSQC光谱的方法。从这些光谱中，我们提取了耦合，进行了非对映质子的分配，
• Polyisocyanide Derivative Having Controlled Helical Main Chain Structure
  申请人：Okoshi Kento

  公开号：US20090030227A1

  公开（公告）日：2009-01-29

  The object is to provide: a method for producing a polymer having a stable right-handed or left-handed helical structure from a single type of monomer in a per-selective manner and controlling the proportion between a polymer having the right-handed helical structure and a polymer having the left-handed helical structure; and a polymeric material which can be used for the formation of any of the right-handed and left-handed helical structures. Thus, disclosed are: a method for production of a polyisocyanide derivative having a stable helical main chain structure with a right-handed or left-handed helix or a mixture thereof from a single type of monomer by polymerizing an aromatic isocyanate having a substituent harboring a structure —CONH in the aromatic ring and a hydrophobic moiety having 6 or more carbon atoms in a polymerization solvent, wherein the direction of the helix depends on the polarity of the polymerization solvent; a poly(aromatic isocyanide) derivative produced by the method; and an aromatic isocyanide which is useful as a monomer for use in the production of the poly(aromatic isocyanide) derivative.

  本发明旨在提供以下内容：一种从单一类型的单体中以选择性的方式制备具有稳定右旋或左旋螺旋结构的聚合物的方法，并控制具有右旋螺旋结构的聚合物和具有左旋螺旋结构的聚合物之间的比例；以及可用于形成任何右旋和左旋螺旋结构的聚合材料。因此，本发明揭示了：通过在聚合溶剂中聚合具有芳香环上具有结构—CONH的取代基和具有6个或更多碳原子的疏水基团的芳香异氰酸酯，从单一类型的单体中制备具有稳定螺旋主链结构的右旋或左旋螺旋或其混合物的聚异氰酸酯衍生物的制备方法，其中螺旋的方向取决于聚合溶剂的极性；通过该方法制备的聚（芳香异氰酸酯）衍生物；以及用于制备聚（芳香异氰酸酯）衍生物的单体芳香异氰酸酯。
• POLYISOCYANIDE DERIVATIVE HAVING CONTROLLED HELICAL MAIN CHAIN STRUCTURE
  申请人：Japan Science and Technology Agency

  公开号：EP1956035B1

  公开（公告）日：2014-01-22
• Polyisocyanide derivative having controlled helical main chain structure
  申请人：Japan Science and Technology Agency

  公开号：EP2708524B1

  公开（公告）日：2015-04-08
• US7619109B2
  申请人：——

  公开号：US7619109B2

  公开（公告）日：2009-11-17