N-丁基二异丙醇胺 | 4402-34-0

• 物质功能分类: 生物化工 - 生化试剂 - 胺、酸和盐
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N-丁基二异丙醇胺
• 英文名称: N-n-butyl diisopropanol amine
• 英文别名: butyl-bis-(2-hydroxy-propyl)-amine；N-n-butyl-bis-(2-hydroxypropyl)amine；1-[Butyl(2-hydroxypropyl)amino]propan-2-ol
• CAS: 4402-34-0
• 化学式: C₁₀H₂₃NO₂
• mdl: MFCD00046646
• 分子量: 189.298
• InChiKey: UMXUEZVHHYJJQP-UHFFFAOYSA-N

物化性质

• 沸点：
  138.85-263℃ at 101.1-101.325kPa
• 密度：
  0.929g/cm3 at 20℃
• LogP：
  0.81
• 解离常数：
  9.3

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  43.7
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P264,P280,P302+P352,P305+P351+P338,P332+P313,P337+P313,P362
• 危险性描述：
  H315,H319

反应信息

• 作为反应物：
  描述：

  N-丁基二异丙醇胺 在 ruthenium trichloride 、 三苯基膦 苄叉丙酮 作用下， 以 various solvent(s) 为溶剂， 以51%的产率得到3,4-dihydro-4-n-butyl-2,6-dimethyl-2H-1,4-oxazine
  参考文献：
  名称：

  Ruthenium-catalyzed synthesis of substituted 2-hydroxymorpholines and substituted morpholines

  摘要：

  The reaction of primary amines with peroxides afforded substituted hydroxymorpholines which were then converted to substituted morpholines via dihydrooxazines as intermediates. The reaction appears to proceed through a ruthenium-catalyzed dehydrogenation-cyclization process.

  DOI：

  10.1016/s0040-4039(00)91563-6
• 作为产物：
  描述：

  正丁胺 、 methyloxirane 在 水 作用下， 生成 N-丁基二异丙醇胺
  参考文献：
  名称：

  SYNTHESIS OF N-SUBSTITUTED DIISOPROPANOLAMINES, THEIR SEBACATE POLYESTERS AND POLYURETHANE ELASTOMERS

  摘要：

  通过在常压下，将胺的水溶液与过量的丙烯氧基反应，制备了几种N-取代二异丙醇胺。但是，较高的N-取代二异丙醇胺必须在200°C的高压釜中制备。这些碱的解离常数被测量并记录为pK_a值。它们的红外吸收光谱显示出所有二异丙醇胺共有的频带，主要在3.04、7.14、7.55、7.85、9.45、10.6和11.95微米处。它们与癸二酸的缩聚产物是相应的聚酯，溶解在强酸中，分子量约为1500。羟基终止的聚酯在100°C下与轻微过量的2,4-甲苯二异氰酸酯固化2天，形成具有脆性温度在-50°C左右的弹性体。

  DOI：

  10.1139/v58-206

文献信息

• [EN] TARGETED DELIVERY TO BETA CELLS<br/>[FR] ADMINISTRATION CIBLÉE À DES CELLULES BÊTA
  申请人：CHOUDHARY AMIT

  公开号：WO2018195486A1

  公开（公告）日：2018-10-25

  The disclosure includes zinc prodrugs for targeted delivery of therapeutic, diagnostic or imaging agents to β-cells and methods of use therefor. The disclosure also includes targeted delivery of small molecules to β-cells that stabilize and activate CRISPR effector proteins comprising at least one destabilization domain, to enable CRISPR-based genome editing and transcriptional activation or repression in β-cells.

  本公开内容包括用于将治疗性、诊断性或成像剂靶向递送至β细胞的锌前药及其使用方法。本公开内容还涉及将小分子靶向递送至β细胞，这些小分子能够稳定并激活至少含有一个不稳定域的CRISPR效应蛋白，从而在β细胞中实现基于CRISPR的基因编辑和转录激活或抑制。
• SYNTHESIS OF N-SUBSTITUTED DIISOPROPANOLAMINES, THEIR SEBACATE POLYESTERS AND POLYURETHANE ELASTOMERS
  作者：Jean L. Boivin

  DOI：10.1139/v58-206

  日期：1958.10.1

  Several N-substituted diisopropanolamines were prepared by reacting aqueous solutions of amines with excess propylene oxide at ordinary pressure but higher N-substituted diisopropanolamines had to be prepared in an autoclave at 200 °C. The ionization constants of these bases were measured and recorded as pK_a values. Their infrared absorption spectra gave bands common to all diisopropanolamines mainly at 3.04, 7.14, 7.55, 7.85, 9.45, 10.6, and 11.95 microns. Their condensation with sebacic acid gave the corresponding polyesters, which were soluble in strong acids and had molecular weights of about 1500. The hydroxyl-terminated polyesters were cured with a slight excess of 2,4-tolylene diisocyanate at 100 °C for 2 days to yield elastomers of brittle temperatures in the region of −50 °C.

  通过在常压下，将胺的水溶液与过量的丙烯氧基反应，制备了几种N-取代二异丙醇胺。但是，较高的N-取代二异丙醇胺必须在200°C的高压釜中制备。这些碱的解离常数被测量并记录为pK_a值。它们的红外吸收光谱显示出所有二异丙醇胺共有的频带，主要在3.04、7.14、7.55、7.85、9.45、10.6和11.95微米处。它们与癸二酸的缩聚产物是相应的聚酯，溶解在强酸中，分子量约为1500。羟基终止的聚酯在100°C下与轻微过量的2,4-甲苯二异氰酸酯固化2天，形成具有脆性温度在-50°C左右的弹性体。
• Coordination complexes for detecting analytes, and methods of making and using the same
  申请人：——

  公开号：US20030068275A1

  公开（公告）日：2003-04-10

  The present invention is directed, in part, to coordination complexes for detecting analytes, and methods of making and using the same.

  本发明部分涉及用于检测分析物的配位络合物，以及制备和使用该配位络合物的方法。
• Naphthofluorescein-based metal sensors, and methods of making and using the same
  申请人：Lippard J. Stephen

  公开号：US20050186555A1

  公开（公告）日：2005-08-25

  The present invention is directed, in part, to naphthofluorescein-based ligands for detection of metal ions, and methods of making and using the same.

  本发明部分涉及基于萘荧光素的配体用于检测金属离子，以及制备和使用这些配体的方法。
• Process for preparing oxazine derivatives
  申请人：Texaco Chemical Company

  公开号：US04910303A1

  公开（公告）日：1990-03-20

  This invention relates to the reaction of N-alkyl-bis-(2-hydroxyalkyl)amines to form oxazine derivatives by a process comprising reacting said amines in the presence of a ruthenium-containing compound and hydrogen acceptor.

  本发明涉及使用含钌化合物和氢受体的方法，通过反应N-烷基双（2-羟基烷基）胺来形成噁唑啉衍生物。