di(3-methoxycarbonylphenylmethyl)amine | 208450-86-6

• 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: di(3-methoxycarbonylphenylmethyl)amine
• 英文别名: Methyl 3-[[(3-methoxycarbonylphenyl)methylamino]methyl]benzoate
• CAS: 208450-86-6
• 化学式: C₁₈H₁₉NO₄
• 分子量: 313.353
• InChiKey: AJCJICBMODGBDC-UHFFFAOYSA-N

物化性质

• 沸点：
  455.6±40.0 °C(Predicted)
• 密度：
  1.171±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  di(3-methoxycarbonylphenylmethyl)amine 在 盐酸 、 水 作用下， 反应 68.0h， 生成 bis(3-carboxybenzyl)ammonium chloride
  参考文献：
  名称：

  Combining Different Hydrogen-Bonding Motifs To Self-Assemble Interwoven Superstructures

  摘要：

  DOI：

  10.1002/(sici)1521-3765(19980416)4:4<577::aid-chem577>3.0.co;2-t
• 作为产物：
  描述：

  3-氨甲基苯甲酸盐酸盐 在 盐酸 、 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 甲醇 、 甲苯 为溶剂， 反应 49.5h， 生成 di(3-methoxycarbonylphenylmethyl)amine
  参考文献：
  名称：

  Combining Different Hydrogen-Bonding Motifs To Self-Assemble Interwoven Superstructures

  摘要：

  DOI：

  10.1002/(sici)1521-3765(19980416)4:4<577::aid-chem577>3.0.co;2-t

文献信息

• Synthesis of N-benzyl- and N-phenyl-2-amino-4,5-dihydrothiazoles and thioureas and evaluation as modulators of the isoforms of nitric oxide synthase
  作者：C Goodyer

  DOI：10.1016/s0968-0896(03)00451-6

  日期：2003.9.15

  Inhibition of the isoforms of nitric oxide synthase (NOS) has important applications in therapy of several diseases, including cancer. Using 1400W [N-(3-aminomethylbenzyl)acetamidme], thiocitrulline and N-delta-(4,5-dihydrothiazol-2-yl)ornithine as lead compounds, series of N-benzyl- and N-phenyl-2-amino-4,5-dihydrothiazoles and thioureas were designed as inhibitors of NOS. Ring-substituted benzyl and phenyl isothiocyanates were synthesised by condensation of the corresponding amines with thiophosgene and addition of ammonia gave the corresponding thioureas in high yields. The substituted 2-amino-4,5-dihydrothiazoles were approached by two routes. Treatment of simple benzylamines with 2-methylthio-4,5-dihydrothiazole at 180degreesC afforded the corresponding 2-benzylamino-4,5-dihydrothiazoles. For less nucleophilic amines and those carrying more thermally labile substituents, the 4,5-dihydrothiazoles were approached by acid-catalysed cyclisation of N-(2-hydroxyethyl)thioureas. This cyclisation was shown to proceed by an S(N)2-like process. Modest inhibitory activity was shown by most of the thioureas and 4,5-dihydrothiazoles, with N-(3-aminomethylphenyl)thiourea (IC50 = 13 muM vs rat neuronal NOS and IC50 = 23 muM vs rat inducible NOS) and 2-(3-aminomethylphenylamino)-4,5-dihydrothiazole (IC50 - 13 muM vs rat neuronal NOS and IC50 = 19 muM vs human inducible NOS) being the most potent. Several thioureas and 4,5-dihydrothiazoles were found to stimulate the activity of human inducible NOS in a time-dependent manner. (C) 2003 Elsevier Ltd. All rights reserved.
• Chemical Compounds For Coating Of Nanostructures
  申请人：Spago Nanomedical AB

  公开号：US20190352459A1

  公开（公告）日：2019-11-21

  The present application relates to a chemical compound comprising an aromatic core, or a carbocyclic, non-aromatic, core, wherein the aromatic core is a benzene ring or a biphenyl; the carbocyclic, non-aromatic core is a 5 to 7 membered ring. The core has covalently attached thereto: at least two anchoring groups, each anchoring group comprising an activated silane group, wherein the anchoring groups have the following general formula -A-(CH 2 )nSiY3 wherein A is a covalent bond or O, “n” is an integer from 1 to 3, and Y is independently a methoxy group or an ethoxy group; and at least one hydrophilic group extending from the core, the hydrophilic group comprising one or more hydrophilic polymer residues with a molecular composition of (aO+bN)/(cC+dS+eSi+fP)>0.3 where a, b, c, d, e and f are the mol percentage of oxygen (O), nitrogen (N), carbon (C), sulfur (S), silicon (Si) and phosphorus (P), respectively; wherein the hydrophilic polymer residue(s) is(are) selected, independently of each other if more than one hydrophilic group is present, from —(O—CH 2 —CH 2 ) m —OX, wherein Xis CH 3 or H, and “m” is an integer from 6 to 25; and the number of hydrophilic groups extending from the core is from one to the number of ring structures in the core. The present invention also relates to compositions comprising the chemical compound and nanostructures comprising residues of the chemical compound as well as the use of such nanostructures. Furthermore, the invention relates to methods for obtaining the chemical compounds and the nanostructures.