3-(aminomethyl)-N-(propan-2-yl)aniline | 1235440-08-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-(aminomethyl)-N-(propan-2-yl)aniline
• 英文别名: 3-(aminomethyl)-N-propan-2-ylaniline
• CAS: 1235440-08-0
• 化学式: C₁₀H₁₆N₂
• mdl: MFCD16040173
• 分子量: 164.25
• InChiKey: VWVCYCPZNSEDRX-UHFFFAOYSA-N

物化性质

• 沸点：
  294.2±23.0 °C(Predicted)
• 密度：
  1.012±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  38
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(aminomethyl)-N-(propan-2-yl)aniline 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 6.0h， 生成 C₁₅H₂₁N₅O₂
  参考文献：
  名称：

  Bis(2,2,2-trifluoroethyl) Carbonate as a Condensing Agent in One-Pot Parallel Synthesis of Unsymmetrical Aliphatic Ureas

  摘要：

  One-pot parallel synthesis of unsymmetrical aliphatic ureas was achieved with bis(2,2,2-trifluoroethyl) carbonate. The procedure worked well for both the monosubstituted and functionalized alkyl amines and required no special conditions (temperature control, order, or rate of addition). A library of 96 diverse ureas was easily synthesized.

  DOI：

  10.1021/co500025f

文献信息

• Reactive dyes
  申请人：ZENECA LIMITED

  公开号：EP0372729A1

  公开（公告）日：1990-06-13

  Water-soluble reactive dyes of the formula: wherein D represents the radical of a water-soluble chromophoric compound; each of R, R¹ and R², independently, represents hydrogen or an optionally substituted alkyl radical and Q represents a radical of the formula: wherein each of X and Y, independently, represents halogen, alkyl, alkoxy, acylamino, nitro, carboxy or sulpho and each of n and m, independently, represents an integer from 0 to 2.

  式中的水溶性活性染料： 其中 D 代表水溶性发色性化合物的基团；R、R¹ 和 R² 各自独立地代表氢或任选取代的烷基，Q 代表式中的基团： 其中 X 和 Y 各自独立地代表卤素、烷基、烷氧基、酰氨基、硝基、羧基或磺基，n 和 m 各自独立地代表 0 至 2 的整数。
• SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF
  申请人：Memorial Sloan-Kettering Cancer Center

  公开号：US20220162209A1

  公开（公告）日：2022-05-26

  Provided herein are compounds of Formula (I), and pharmaceutically acceptable salts or tautomers thereof. Also provided are pharmaceutical compositions, kits, and methods involving the inventive compounds for the treatment and/or prevention of an infectious disease (e.g., bacterial infection (e.g., Mycobacterium infection (e.g., tuberculosis)). (I)
• US7285565B2
  申请人：——

  公开号：US7285565B2

  公开（公告）日：2007-10-23
• [EN] SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF<br/>[FR] ANALOGUES DE SALICYL-ADÉNOSINEMONOSULFAMATE ET LEURS UTILISATIONS
  申请人：MEMORIAL SLOAN KETTERING CANCER CENTER

  公开号：WO2020132603A2

  公开（公告）日：2020-06-25

  Provided herein are compounds of Formula (I), and pharmaceutically acceptable salts or tautomers thereof. Also provided are pharmaceutical compositions, kits, and methods involving the inventive compounds for the treatment and/or prevention of an infectious disease (e.g., bacterial infection (e.g., Mycobacterium infection (e.g., tuberculosis)). (I)
• Bis(2,2,2-trifluoroethyl) Carbonate as a Condensing Agent in One-Pot Parallel Synthesis of Unsymmetrical Aliphatic Ureas
  作者：Andrey V. Bogolubsky、Yurii S. Moroz、Pavel K. Mykhailiuk、Dmitry S. Granat、Sergey E. Pipko、Anzhelika I. Konovets、Roman Doroschuk、Andrey Tolmachev

  DOI：10.1021/co500025f

  日期：2014.6.9

  One-pot parallel synthesis of unsymmetrical aliphatic ureas was achieved with bis(2,2,2-trifluoroethyl) carbonate. The procedure worked well for both the monosubstituted and functionalized alkyl amines and required no special conditions (temperature control, order, or rate of addition). A library of 96 diverse ureas was easily synthesized.