(3S,4S)-3,4-diaminohexane | 135559-46-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (3S,4S)-3,4-diaminohexane
• 英文别名: (3S,4S)-hexane-3,4-diamine
• CAS: 135559-46-5
• 化学式: C₆H₁₆N₂
• 分子量: 116.206
• InChiKey: IWCAQTQMDRGMPI-WDSKDSINSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  52
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,5-dichloro-8-(4-tolyl) BODIPY 、 (3S,4S)-3,4-diaminohexane 在 三乙胺 作用下， 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  桥诱导的 helicoBODIPY 可见电子圆二色性特征的驯服

  摘要：

  基于手性乙烷-1,2-二胺或-1,2-二醇桥的螺旋柔性双(BODIPY)（称为螺旋BODIPY）是一个有趣的家族，可访问且可调的小型多发色有机染料，可实现可见电子圆二色性（ECD） ），甚至可见圆偏振发光（CPL）。然而，由于分子内电荷转移（CT）发射的非最佳参与导致荧光效率较低，因此它们的CPL亮度（ B CPL）仍然有限（高达约10 M -1 cm -1 ）。在此，我们深入分析了该 CT 的起源和控制因素，证明了 BODIPY 到 BODIPY 对称性破缺诱导 CT (SBCT) 的关键参与，由于其推拉特性，超出了每个单个 BODIPY 生色团内的预期 CT 。还证明，增加柔性螺旋BODIPY 乙烷桥的过度拥挤会导致 BODIPY-BODIPY 面临的配置，促进 SBCT 并能够在特定条件下检测 CT 吸收和 CT 发射带。有趣的是，这种 SBCT 增强了可见 ECD（绝对g绝对值），

  DOI：

  10.1016/j.dyepig.2023.111907
• 作为产物：
  描述：

  反-3-已烯 在 sodium azide 、 palladium 10% on activated carbon 、 水 、 氢气 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 叔丁醇 为溶剂， 80.0 ℃ 、101.33 kPa 条件下， 反应 73.5h， 生成 (3S,4S)-3,4-diaminohexane
  参考文献：
  名称：

  CH···O氢键弱的溴化桥Pd链配合物的结构研究

  摘要：

  由新的平面内配体（3 S，4 S）合成了新型的Br桥式Pd链络合物[Pd（hxn）2 Br]（TsO）2（2）（TsO – =对甲苯磺酸盐）。 3,4-二氨基己烷（hxn）。单晶X射线结构分析和极化拉曼光谱证实了2种形式的Pd II / Pd IV混合价态。所述配体HXN提供了附加的氢键（CH ... O）的配体和TSO的O原子的甲基间-阴离子，它们比那些在链复合物与羟基观察弱，[钯（dabdOH）2Br] Br 2（1）。

  DOI：

  10.1002/zaac.201700461

文献信息

• HYDROXYLATED CONTRAST ENHANCEMENT AGENTS AND IMAGING METHOD
  申请人：Grimmond Brian James

  公开号：US20110243858A1

  公开（公告）日：2011-10-06

  A method of diagnostic imaging is disclosed comprising administering a medical formulation to a subject, the formulation comprising a contrast enhancement agent having structure I and salts thereof wherein R 1 is independently at each occurrence a hydroxy group, a C 1 -C 3 hydroxyalkyl group, or a C 1 -C 3 alkyl group, and b is 0-4; R 2 -R 7 are independently at each occurrence hydrogen, a C 1 -C 3 hydroxyalkyl group, or a C 1 -C 3 alkyl group, with the proviso that at least one of R 1 -R 7 is a hydroxy group or a C 1 -C 3 hydroxyalkyl group; and wherein Q is one or more charge balancing counterions; and one or more pharmaceutically acceptable carriers and excipients. The subject is subjected to a diagnostic imaging technique such as magnetic resonance imaging. The technique may be used in a variety of diagnostic imaging regimes, such as imaging of circulatory systems, genitourinary systems, hepatobiliary systems, central nervous systems, tumors, and abscesses among others.

  揭示了一种诊断成像方法，包括向受试者注射医用配方，该配方包括具有结构I和其盐的对比增强剂，其中R1在每次出现时独立地是羟基、C1-C3羟基烷基或C1-C3烷基，b为0-4；R2-R7在每次出现时独立地是氢、C1-C3羟基烷基或C1-C3烷基，但至少其中之一是羟基或C1-C3羟基烷基；Q是一个或多个电荷平衡的对离子；以及一个或多个药用载体和赋形剂。受试者接受诊断成像技术，如磁共振成像。该技术可用于各种诊断成像方案，如循环系统、泌尿系统、肝胆系统、中枢神经系统、肿瘤和脓肿等的成像。
• INTERMEDIATES FOR HYDROXYLATED CONTRAST ENHANCEMENT AGENTS
  申请人：Grimmond Brian James

  公开号：US20110077396A1

  公开（公告）日：2011-03-31

  In one aspect, the present invention provides a protected ligand precursor having structure XX wherein R 8 is independently at each occurrence a protected hydroxy group, a protected C 1 -C 3 hydroxyalkyl group, or a C 1 -C 3 alkyl group, and b is 0-4; R 9 -R 11 are independently at each occurrence hydrogen, a protected C 1 -C 3 hydroxyalkyl group, or a C 1 -C 3 alkyl group, with the proviso that at least one of R 8 -R 11 is a protected hydroxy group or a protected C 1 -C 3 hydroxyalkyl group; and R 12 and R 13 are independently at each occurrence a protecting group is selected from the group consisting of C 1 -C 30 aliphatic radicals, C 3 -C 30 cycloaliphatic radicals, and C 2 -C 30 aromatic radicals.
• Intermediates for Hydroxylated Contrast Enhancement Agents
  申请人：Grimmond Brian James

  公开号：US20110245511A1

  公开（公告）日：2011-10-06

  In one aspect, the present invention provides a protected ligand precursor having structure XX wherein R 8 is independently at each occurrence a protected hydroxy group, a protected C 1 -C 3 hydroxyalkyl group, or a C 1 -C 3 alkyl group, and b is 0-4; R 9 -R 11 are independently at each occurrence hydrogen, a protected C 1 -C 3 hydroxyalkyl group, or a C 1 -C 3 alkyl group, with the proviso that at least one of R 8 -R 11 is a protected hydroxy group or a protected C 1 -C 3 hydroxyalkyl group; and R 12 and R 13 are independently at each occurrence a protecting group is selected from the group consisting of C 1 -C 30 aliphatic radicals, C 3 -C 30 cycloaliphatic radicals, and C 2 -C 30 aromatic radicals.
• HYDROXYLATED CONTRAST ENHANCEMENT AGENTS
  申请人：Grimmond Brian James

  公开号：US20110245512A1

  公开（公告）日：2011-10-06

  In one aspect, the present invention provides a contrast enhancement agent comprising an iron chelate having structure I and salts thereof wherein R 1 is independently at each occurrence a hydroxy group, a C 1 -C 3 hydroxyalkyl group, or a C 1 -C 3 alkyl group, and b is 0-4; R 2 -R 7 are independently at each occurrence hydrogen, a C 1 -C 3 hydroxyalkyl group, or a C 1 -C 3 alkyl group, with the proviso that at least one of R 1 -R 7 is a hydroxy group or a C 1 -C 3 hydroxyalkyl group; and wherein Q is one or more charge balancing counterions. Also provided are a metal chelating ligand having structure IX and medical formulations comprising the contrast enhancement agent I.
• US8362281B2
  申请人：——

  公开号：US8362281B2

  公开（公告）日：2013-01-29