β-alanine allylamine amide | 24626-22-0

• 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: β-alanine allylamine amide
• 英文别名: 3-(Allylamino)propanamide；3-(prop-2-enylamino)propanamide
• CAS: 24626-22-0
• 化学式: C₆H₁₂N₂O
• mdl: MFCD10687301
• 分子量: 128.174
• InChiKey: BGRBSAXCIXLYCF-UHFFFAOYSA-N

物化性质

• 沸点：
  80-85 °C(Press: 2 Torr)
• 密度：
  0.968±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  9
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  一氧化碳 、 β-alanine allylamine amide 在 dirhodium tetraacetate 氢气 、 6,6′-[(3,3′-二叔丁基-5,5′-二甲氧基-1,1′-二苯基-2,2′-二基)双(氧)]双(二苯并[d,f][1,3,2]二噁磷杂庚英) 作用下， 以 苯 为溶剂， 80.0 ℃ 、2.76 MPa 条件下， 反应 20.0h， 生成 octahydro-2H-pyrido(1,2-a)pyrimidin-2-one
  参考文献：
  名称：

  铑催化不饱和胺与氯的反应中化学和区域选择性的控制

  摘要：

  当使用受阻的双亚磷酸酯配体BIPHEPHOS时，N-烯丙基和N-丁烯基-1,3-二氨基丙烷的铑催化反应产生的单一产物是由末端碳的独家加氢甲酰化产生的。使用高一氧化碳：氢比率（9：1）和三苯膦作为配体的反应主要产生内酰胺，这些内酰胺是由羰基化产生的，但对区域选择性的控制较差。

  DOI：

  10.1016/s0040-4039(97)00889-7
• 作为产物：
  描述：

  3-(烯丙基氨基)丙腈 在 phosphate buffer 作用下， 反应 192.0h， 以92%的产率得到β-alanine allylamine amide
  参考文献：
  名称：

  Rhodium-catalysed hydroformylation and carbonylation of N-alkenyl-1,3-diaminopropanes

  摘要：

  The rhodium catalysed reactions of N-alkenyl-1,3-diaminopropanes with H-2/CO usually give mixtures of diazabicycloalkanes and aminopropyl lactams. The chemo-and regioselectivity of these reactions are influenced by the choice of ligand and by the ratio of H-2 and CO in the gas mixture and in some cases formation of a single compound can be achieved. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)10193-4

文献信息

• WRINKLE-IMPROVING AGENT
  申请人：Shiseido Company, Limited

  公开号：EP1941861A1

  公开（公告）日：2008-07-09

  The invention provides a novel wrinkle-improving agent that has an effect of improving wrinkles, that does not entail problems of safety or pain even when applied to the skin, and that contains a very safe substance as an active component. A discovery was made that N-benzoyl-β-alanine, other specific β-alanine derivatives, and salts thereof have a wrinkle-improving effect, whereby a wrinkle-improving agent containing as an active component one, two, or more types of compounds selected from the group composed of these specific β-alanine derivatives and the salts thereof was developed.

  该发明提供了一种新型的改善皱纹的剂，具有改善皱纹的效果，即使应用于皮肤也不会带来安全或疼痛问题，并且包含一种非常安全的物质作为活性成分。发现N-苯甲酰-β-丙氨酸、其他特定的β-丙氨酸衍生物及其盐具有改善皱纹的效果，因此开发了一种改善皱纹的剂，其活性成分包含从这些特定的β-丙氨酸衍生物及其盐组成的群体中选择的一种、两种或更多种化合物。
• BENZOPYRANOPYRAZOLES
  申请人：Vennemann Matthias

  公开号：US20100104659A1

  公开（公告）日：2010-04-29

  Compounds of a certain formula I, in which Ra, Rb and Rc have the meanings indicated in the description, are effective compounds with anti-proliferative and/or apoptosis inducing activity.

  某个化学式I的化合物，其中Ra、Rb和Rc具有说明中指定的含义，是具有抗增殖和/或诱导细胞凋亡活性的有效化合物。
• Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin
  申请人：Kaminuma Mikiko

  公开号：US20120232111A1

  公开（公告）日：2012-09-13

  The invention provides a parakeratosis inhibitor, pore-shrinking agent, or rough skin preventing/ameliorating agent that has a function such as parakeratosis inhibition, pore shrinkage, or rough skin—inhibition/abatement, poses no safety problems such as sensory irritation, and is very safe, and further provides an external composition for skin to which a compound having the above-mentioned function has been added. The parakeratosis inhibitor, pore-shrinking agent, or rough skin preventing/ameliorating agent comprises one or more compounds selected from the group consisting of β-alanine derivatives and salts thereof. The external composition for skin comprises the one or more compounds selected from the group consisting of β-alanine derivatives and salts thereof as the above-mentioned parakeratosis inhibitor, pore-shrinking agent, or rough skin preventing/ameliorating agent.

  本发明提供了一种角化过度抑制剂、毛孔收缩剂或粗糙肌肤预防/改善剂，具有诸如角化过度抑制、毛孔收缩或粗糙肌肤抑制/减轻等功能，不会引起感觉刺激等安全问题，非常安全，还提供了一种外用皮肤组成物，其中添加了具有上述功能的化合物。该角化过度抑制剂、毛孔收缩剂或粗糙肌肤预防/改善剂包括从β-丙氨酸衍生物和其盐的群组中选择的一种或多种化合物。该外用皮肤组成物包括上述β-丙氨酸衍生物和其盐中的一种或多种作为上述角化过度抑制剂、毛孔收缩剂或粗糙肌肤预防/改善剂。
• Liquid all-purpose cleaners
  申请人：CLARIANT INTERNATIONAL LTD.

  公开号：EP1162254A1

  公开（公告）日：2001-12-12

  A liquid all-purpose composition suitable for hard surface cleaning, composed by a) non-ionic surfactants in the range of 0.1 to 40 and/or anionic surfactants in the range of 0.1 to 3 % b) a cationic surfactant or association of cationic surfactants in the range of 0.1 to 30 % c) optionally amphoteric surfactants in the range of 0.1 to 20 %.

  一种适用于硬表面清洁的液体多功能组合物，由以下成分组成： a) 0.1%至 40%的非离子表面活性剂和/或 0.1%至 3%的阴离子表面活性剂； b) 0.1%至 30%的阳离子表面活性剂或阳离子表面活性剂组合； c) 0.1%至 20%的两性表面活性剂。
• Hair colouring method and composition comprising a ring-fused heterocycle direct dyestuff
  申请人：Kao Corporation

  公开号：EP1240892A2

  公开（公告）日：2002-09-18

  The present invention is directed to a hair colouring method by using a composition and to said composition comprising a specified ring-fused heterocycle direct dyestuff having the general formula (1) or a salt thereof wherein the formulas are as defined in the patent claims. Furthermore, the present invention is also directed to the composition. This composition has a surprisingly good hair colouring performance and compatibility with peroxides. The use of this composition leads to long lasting brilliant colours wherein the colour is stable against washing of the hair and environmental influences.

  本发明涉及一种使用组合物的染发方法，所述组合物包含具有通式（1）的特定环融杂环直接染料或其盐，其中的通式如专利权利要求书中所定义。 此外，本发明还涉及该组合物。这种组合物具有令人惊讶的良好染发性能和与过氧化物的相容性。使用这种组合物可以获得持久艳丽的发色，而且发色稳定，不受头发洗涤和环境影响。