3-(二丁基氨基)-1-丙醇 | 2050-51-3

• 物质功能分类: 有机原料 - 醇、酚、酚醇类化合物及衍生物
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 3-(二丁基氨基)-1-丙醇
• 中文别名: 3-二丁氨基-1-丙醇
• 英文名称: 3-dibutylaminopropanol
• 英文别名: 3-di-n-butylamino-1-propanol；3-(dibutylamino)-1-propanol；3-(dibutylamino)propan-1-ol；3-dibutylamino-1-propanol；N,N-dibutylaminopropanol；3-(N,N-dibutylamino)propanol
• CAS: 2050-51-3
• 化学式: C₁₁H₂₅NO
• mdl: MFCD00152393
• 分子量: 187.326
• InChiKey: DMPODMBXLRMZSP-UHFFFAOYSA-N

物化性质

• 沸点：
  94-97°C / 3mmHg
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  23.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R34
• 海关编码：
  2922199090
• 危险品运输编号：
  UN 2735
• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  3-(二丁基氨基)-1-丙醇 在 bis-triphenylphosphine-palladium(II) chloride 、 正丁基锂 、 氯化亚砜 、 potassium carbonate 、 caesium carbonate 、 苯甲醚 、 sodium iodide 作用下， 以 四氢呋喃 、 正己烷 、 氯仿 、 乙腈 为溶剂， 反应 70.75h， 生成 决奈达隆
  参考文献：
  名称：

  Dronedarone，一种抗心律不齐药物的收敛合成。

  摘要：

  我们已经开发了抗心律失常药决奈达隆的收敛合成方法。该方法的关键步骤是通过碘环化和苯甲酰酮形成的羰基化Suzuki-Miyaura交叉偶联构建苯并呋喃骨架。该合成路线仅需从2-氨基-4-硝基苯酚八步即可，总收率达23％。

  DOI：

  10.1248/cpb.c16-00237
• 作为产物：
  描述：

  N,N-二丁基-beta-丙氨酸乙酯 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 8.0h， 以1.1861 g的产率得到3-(二丁基氨基)-1-丙醇
  参考文献：
  名称：

  Efficient Syntheses of Diverse, Medicinally Relevant Targets Planned by Computer and Executed in the Laboratory

  摘要：

  The Chematica program was used to autonomously design synthetic pathways to eight structurally diverse targets, including seven commercially valuable bioactive substances and one natural product. All of these computer-planned routes were successfully executed in the laboratory and offer significant yield improvements and cost savings over previous approaches, provide alternatives to patented routes, or produce targets that were not synthesized previously.

  DOI：

  10.1016/j.chempr.2018.02.002

文献信息

• METHOD FOR THE CONTINUOUS PRODUCTION OF AN AMINE USING AN ALUMINUM-COPPER CATALYST
  申请人：Ernst Martin

  公开号：US20110172430A1

  公开（公告）日：2011-07-14

  Process for the continuous preparation of an amine by reaction of a primary or secondary alcohol, aldehyde and/or ketone with hydrogen and a nitrogen compound selected from the group consisting of ammonia, primary and secondary amines at a temperature in the range from 60 to 300° C. in the presence of a catalyst comprising copper oxide and aluminum oxide, wherein the reaction takes place in the gas phase and the catalytically active composition of the catalyst before reduction with hydrogen comprises PS from 20 to 75% by weight of aluminum oxide (Al 2 O 3 ), from 20 to 75% by weight of oxygen-comprising compounds of copper, calculated as CuO, from 0 to 2% by weight of oxygen-comprising compounds of sodium, calculated as Na 2 O, and less than 5% by weight of oxygen-comprising compounds of nickel, calculated as NiO, and the shaped catalyst body has a pellet shape having a diameter in the range from 1 to 4 mm and a height in the range from 1 to 4 mm.

  通过在60至300°C温度范围内，在气相中存在铜氧化物和氧化铝的催化剂的情况下，通过将一级或二级醇、醛和/或酮与氢气和从氨、一级和二级胺组成的氮化合物中选择的氮化合物反应，连续制备胺的过程，其中在还原之前，催化剂的催化活性组成包括氧化铝（Al2O3）的重量百分比为20至75%，氧化铜的重量百分比为20至75%，计为CuO的氧化物的重量百分比为0至2%，计为Na2O的氧化物的重量百分比为小于5%，计为NiO的氧化物的重量百分比为小于5%，并且成型催化剂体具有直径在1至4毫米范围内和高度在1至4毫米范围内的颗粒形状。
• Iron-Catalyzed Anti-Markovnikov Hydroamination and Hydroamidation of Allylic Alcohols
  作者：Wei Ma、Xiaohui Zhang、Juan Fan、Yuxuan Liu、Weijun Tang、Dong Xue、Chaoqun Li、Jianliang Xiao、Chao Wang

  DOI：10.1021/jacs.9b05221

  日期：2019.8.28

  nonpolar solvent, features exclusive anti-Markovnikov selectivity, broad substrate scope (>70 examples), and good functional group tolerance. The reaction could be performed at gram scale and applied to the synthesis of drug molecules and heterocyclic compounds. When chiral substrates are used, the stereochemistry and enantiomeric excess are retained. Further application of the chemistry is seen in the

  加氢胺化允许直接获得合成上重要的胺。然而，用高效、广泛适用和经济的催化剂控制反应的选择性仍然具有挑战性。本文报道了铁催化的烯丙基醇的正式反马尔科夫尼科夫加氢胺化和加氢酰胺化，分别产生γ-氨基和γ-酰胺醇。高烯丙醇也是可行的。该催化体系由钳状 Fe-PNP 配合物（1-4 mol%）、弱碱和非极性溶剂组成，具有独特的反马尔科夫尼科夫选择性、广泛的底物范围（>70 个例子）和良好的官能团耐受性。该反应可以在克级进行，并应用于药物分子和杂环化合物的合成。当使用手性底物时，保留立体化学和对映体过量。在氨基酸、天然产物和现有药物的功能化中可以看到化学的进一步应用。机理研究表明，该反应通过两个协同催化循环进行，铁配合物催化脱氢/加氢过程，而胺底物作为迈克尔加成步骤的有机催化剂。
• [EN] INDOLES AND THEIR THERAPEUTIC USE<br/>[FR] INDOLES ET LEUR UTILISATION THÉRAPEUTIQUE
  申请人：ARGENTA DISCOVERY LTD

  公开号：WO2009077728A1

  公开（公告）日：2009-06-25

  Compound of formula (I) are are ligands of the CRTH2 receptor, useful inter alia for treatment of inflammatory conditions. Wherein X is -SO2- or *-SO2NR3- wherein the bond marked with an asterisk is attached to Ar1; R1 is hydrogen, fluoro, chloro, CN or CF3; R2 is hydrogen, fluoro or chloro; R3 is hydrogen, C1C8alkyl or C3-C7cycloalkyl; Ar1 is phenyl or a 5- or 6-membered heteroaryl group selected from furanyl, thienyl, oxazolyl, thiazolyl, imidazolyl, pyrazolyl, isoxazolyl, isothiazolyl, pyridinyl, pyridazinyl, pyrimidinyl and pyrazinyl, wherein the phenyl or heteroaryl groups are optionally substituted by one or more substituents independently selected from fluoro, chloro, CN, C3- C7cycloalkyl, -O(C1-C4alkyl) or C1C6alkyl, the latter two groups being optionally substituted by one or more fluoro atoms; and Ar2 is phenyl or 5- or 6-membered heteroaryl group selected from pyrrolyl, furanyl, thienyl, oxazolyl, thiazolyl, imidazolyl, pyrazolyl, isoxazolyl, isothiazolyl, pyridinyl, pyridazinyl, pyrimidinyl and pyrazinyl, wherein the phenyl or heteroaryl groups are optionally substituted by one or more substituents independently selected from fluoro, chloro, CN, C3- C3- C7cycloalkyl, -O(C1-C4alkyl) or C1C6alkyl, the latter two groups being optionally substituted by one or more fluoro atoms.

  式(I)的化合物是CRTH2受体的配体，尤其适用于治疗炎症性疾病。其中，X为-SO2-或*-SO2NR3-，其中带有星号的键连接到Ar1；R1为氢、氟、氯、氰基或三氟甲基；R2为氢、氟或氯；R3为氢、C1-C8烷基或C3-C7环烷基；Ar1为苯基或选自呋喃基、噻吩基、噁唑基、噻唑基、咪唑基、吡唑基、异噁唑基、异噻唑基、吡啶基、吡嗪基、嘧啶基和哒嗪基的5或6元杂芳基，其中苯基或杂芳基可任选地被一个或多个独立选自氟、氯、氰基、C3-C7环烷基、-O(C1-C4烷基)或C1-C6烷基的取代基取代，后两个基团可任选地被一个或多个氟原子取代；Ar2为苯基或选自吡咯基、呋喃基、噻吩基、噁唑基、噻唑基、咪唑基、吡唑基、异噁唑基、异噻唑基、吡啶基、吡嗪基、嘧啶基和哒嗪基的5或6元杂芳基，其中苯基或杂芳基可任选地被一个或多个独立选自氟、氯、氰基、C3-C7环烷基、-O(C1-C4烷基)或C1-C6烷基的取代基取代，后两个基团可任选地被一个或多个氟原子取代。
• 1, 2, 4-TRIAZOLONE DERIVATIVE
  申请人：Kuwada Takeshi

  公开号：US20130197217A1

  公开（公告）日：2013-08-01

  The present invention provides a 1,2,4-triazolone derivative represented by Formula (1A) having an antagonistic activity on the arginine-vasopressin 1b receptor or a pharmaceutically acceptable salt thereof and provides a pharmaceutical composition comprising the compound or the salt as an active ingredient, in particular, a therapeutic or preventive agent exhibiting favorable pharmacokinetics in a disease such as mood disorder, anxiety disorder, schizophrenia, Alzheimer's disease, Parkinson's disease, Huntington's chorea, eating disorder, hypertension, gastrointestinal disease, drug addiction, epilepsy, cerebral infarction, cerebral ischemia, cerebral edema, head injury, inflammation, immune-related disease, or alopecia.

  本发明提供了一种1,2,4-三唑酮衍生物，其表示为式（1A），具有对精氨酸加压素1b受体的拮抗活性或其药用盐，并提供了包含该化合物或盐作为活性成分的药物组合物，特别是在诸如情绪障碍、焦虑障碍、精神分裂症、阿尔茨海默病、帕金森病、亨廷顿舞蹈症、进食障碍、高血压、胃肠疾病、药物成瘾、癫痫、脑梗死、脑缺血、脑水肿、头部损伤、炎症、免疫相关疾病或脱发等疾病中展现良好药代动力学的治疗或预防剂。
• Lubricant Composition for Fluid Dynamic Bearing
  申请人：Okada Tahei

  公开号：US20070281873A1

  公开（公告）日：2007-12-06

  A lubricating oil composition for fluid dynamic bearings which comprises 50 to 100% by mass of an ether compound comprising at least one ether bond and having 11 to 34 carbon atoms as the base oil and has a kinematic viscosity of at least 2.2 mm 2 /s at 100° C. is provided. The composition has excellent viscosity characteristics such as excellent fluidity at low temperatures and a small decrease in the viscosity in a high temperature range, exhibits lower evaporability, excellent energy saving property and excellent heat stability and is advantageously used for compact fluid dynamic bearings used under rotation at a high speed.

  提供一种用于流体动力轴承的润滑油组合物，其包括质量百分比为50至100%的醚化合物作为基础油，该醚化合物至少包含一个醚键，碳原子数为11至34个，并且在100°C时具有至少2.2 mm²/s的运动黏度。该组合物具有出色的黏度特性，如低温下的出色流动性和高温范围内黏度的小幅降低，表现出较低的挥发性，出色的节能性能和优异的热稳定性，适用于在高速旋转下使用的紧凑型流体动力轴承。