5-(8-methylnonyloxycarbonyl)pentylammonium chloride | 1019642-15-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 5-(8-methylnonyloxycarbonyl)pentylammonium chloride
• 英文别名: 8-Methylnonyl 6-aminohexanoate;hydrochloride
• CAS: 1019642-15-9
• 化学式: C₁₆H₃₃NO₂*ClH
• 分子量: 307.904
• InChiKey: UPYJOAAEYQRISM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.47
• 重原子数：
  20
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  52.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  异十醇 、 6-氨基己酰氯 以 氯仿 为溶剂， 反应 1.5h， 以62%的产率得到5-(8-methylnonyloxycarbonyl)pentylammonium chloride
  参考文献：
  名称：

  Transkarbams with terminal branching as transdermal permeation enhancers

  摘要：

  Transkarbams (T) represent novel group of highly active, non-toxic transdermal permeation enhancers. This study was focused on the influence of small symmetrical terminal branching on their enhancing activity. Series of T with terminal methyl or ethyl branching was prepared and their permeation-enhancing activity was compared to that of their linear analogues. The results showed completely a different behaviour from similarly branched alcohols, supporting the key role of the ammonium-carbamate polar head in the enhancing activity of T. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.040

文献信息

• [EN] ESTERS OF AMINO CARBOXYLIC ACIDS AND A PROCESS TO PREPARE THEM<br/>[FR] ESTERS D'ACIDES AMINOCARBOXYLIQUES ET LEUR PROCÉDÉ DE PRÉPARATION
  申请人：NOURYON CHEMICALS INT BV

  公开号：WO2020007774A1

  公开（公告）日：2020-01-09

  The present invention relates to a process to prepare esters of an amino carboxylic acid of the formula (I) wherein R is an alkyl group containing 5 to 16 carbon atoms that may be branched or linear, k is a value of 1 to 3, m is an integer from 0 to 25, A is -CH2-CH2- or - CH2CH(CH3)- or -CH2-CH(CH2-CH3)-, n is an integer of at least 3 and at most 8, each R1 is a hydrogen atom, each R2 is independently a hydrogen atom or methyl or ethyl group, preferably each R2 is a hydrogen atom, and wherein X is an anion derivable from deprotonating a Brønsted-Lowry acid comprising the steps of reacting an aminocarboxylic acid present as a cyclic amide of the formula (II) and an alkanol of the formula R-(0-A)mOH in the presence of the Brønsted-Lowry acid at a temperature of between 60 and 200 degrees C wherein the total molar amount of aminocarboxylic acid to the molar amount of the alkanol is between 1 :0.8 and 1 :1.5 and wherein the Brønsted-Lowry acid is not added to the reaction mixture until least 50% of the total of the alkanol and cyclic amide are added to the reaction mixture.

  本发明涉及一种制备氨基羧酸酯的方法，其化学式为（I），其中R是含有5至16个碳原子的支链或直链烷基基团，k为1至3的值，m为0至25的整数，A为-CH2- -或- CH(CH3)-或- -CH( - )-，n为至少3且至多8的整数，每个R1为氢原子，每个R2独立地为氢原子或甲基或乙基基团，最好每个R2为氢原子，其中X是可由去质子化Brønsted-Lowry酸得到的阴离子，包括以下步骤：在60至200摄氏度的温度下，在Brønsted-Lowry酸的存在下，反应化学式为（II）的环酰胺存在的氨基羧酸和化学式为R-(0-A)mOH的烷醇，其中氨基羧酸的摩尔总量与烷醇的摩尔量之比在1:0.8至1:1.5之间，且直到将总量的至少50%的烷醇和环酰胺加入到反应混合物中之前，才向反应混合物中添加Brønsted-Lowry酸。
• ESTERS OF AMINO CARBOXYLIC ACIDS AND A PROCESS TO PREPARE THEM
  申请人：Nouryon Chemicals International B.V.

  公开号：EP3818041A1

  公开（公告）日：2021-05-12