2-methylbutylamine hydrochloride | 22008-61-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-methylbutylamine hydrochloride
• 英文别名: 2-Methylbutan-1-amine hydrochloride；2-methylbutan-1-amine;hydrochloride
• CAS: 22008-61-3
• 化学式: C₅H₁₃N*ClH
• 分子量: 123.626
• InChiKey: AFKKTHZFBOANFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.72
• 重原子数：
  7
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  27.6
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  trans-4-(5-bromo-2-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexan-1-ol 、 2-methylbutylamine hydrochloride 在 potassium carbonate 、 N,N-二异丙基乙胺 作用下， 以 异丙醇 为溶剂， 反应 96.0h， 生成
  参考文献：
  名称：

  Highly Selective MERTK Inhibitors Achieved by a Single Methyl Group

  摘要：

  Although all kinases share the same ATP binding pocket, subtle differences in the residues that form the pocket differentiate individual kinases' affinity for ATP competitive inhibitors. We have found that by introducing a single methyl group, the selectivity of our MERTK inhibitors over another target, FLT3, was increased up to 1000-fold (compound 31). Compound 19 was identified as an in vivo tool compound with subnanomolar activity against MERTK and 38-fold selectivity over FLT3 in vitro. The potency and selectivity of 19 for MERTK over FLT3 were confirmed in cell-based assays using human cancer cell lines. Compound 19 had favorable pharmacokinetic properties in mice. Phosphorylation of MERTK was decreased by 75% in bone marrow leukemia cells from mice treated with 19 compared to vehicle-treated mice.

  DOI：

  10.1021/acs.jmedchem.8b01229
• 作为产物：
  描述：

  (2RS,αRS)-2-methylbutyl-α-phenylethylamine 在 盐酸 、 palladium 10% on activated carbon 、 氢气 作用下， 以 乙醇 、 水 为溶剂， 反应 14.0h， 生成 2-methylbutylamine hydrochloride
  参考文献：
  名称：

  借用氢方法将醇转化为N保护的伯胺并进行原位脱保护

  摘要：

  醇已被转化为一系列受保护的胺，包括磺酰胺和N-烷基苄基胺衍生物。还提供了脱保护以提供伯胺的代表性实例。

  DOI：

  10.1016/j.tetlet.2009.02.129

文献信息

• Primary amines from lignocellulose by direct amination of alcohol intermediates, catalyzed by RANEY® Ni
  作者：Xianyuan Wu、Mario De Bruyn、Katalin Barta

  DOI：10.1039/d2cy00864e

  日期：——

  converted into dihydroconiferyl amine (1G amine) in high selectivity using ammonia gas, by applying our selective amination protocol. Notably also, the crude RCF-oil directly afforded 1G amine in a high 4.6 wt% isolated yield (based on lignin content). Finally it was also shown that the here developed Ni-catalysed heterogeneous catalytic procedure was equally capable of transforming a range of aliphatic linear/cyclic

  伯胺是合成各种工业相关产品的极其重要的组成部分。我们在此提出的全面催化策略允许以简单的方式和最少的纯化工作从木质纤维素生物质中获取多种伯胺。该方法的核心是通过两阶段LignoFlex工艺获得的醇中间体（即烷基酚衍生物以及脂肪醇）的高效 RANEY® Ni 催化借氢胺化（与氨）。铜掺杂多孔金属氧化物（Cu20PMO）催化还原催化分馏（ RCF ）将松木纤维素转化为富含二氢松柏醇（ 1G ）的粗生物油，该生物油可以高选择性地转化为二氢松柏胺（ 1G胺）氨气，通过应用我们的选择性胺化方案。还值得注意的是，粗RCF油直接以 4.6 wt% 的高分离产率（基于木质素含量）提供1G 胺。最后还表明，这里开发的镍催化多相催化程序同样能够将一系列脂肪族直链/环状伯/仲醇（可从LignoFlex程序的第二阶段获得）转化为各自的伯胺。
• Method for decarboxylation of amino acids via imine formation
  申请人：University of Georgia Research Foundation, Inc.

  公开号：US10118898B2

  公开（公告）日：2018-11-06

  The present application provides methods for decarboxylation of amino acids via imine formation with a catalyst under pressurized, heated, conditions in either a microwave or oil bath, with optional recovery of the catalyst and/or catalyst byproduct.

  本申请提供了在微波或油浴的加压、加热条件下，利用催化剂通过亚胺的形成对氨基酸进行脱羧的方法，并可选择回收催化剂和/或催化剂副产物。
• Chemistry for fines and water control
  申请人：COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION

  公开号：US10844273B2

  公开（公告）日：2020-11-24

  A method of controlling sand production in a sandstone reservoir comprising providing (i) an aminosilane and (ii) a polymeric linking agent comprising monomeric units having pendent functional groups selected from the group consisting of carboxylic acids, carboxylic acid esters and amides, wherein a plurality of the pendent functional groups are reacted with the amino group of the aminosilane by a process selected from the group consisting of aminolysis of carboxylic acid ester groups, Mannich reaction between the amino group of the aminosilane and a plurality of at least one of carboxylic acid and amide pendent groups in the presence of an aldehyde activating agent or combination thereof, contacting the aminosilane and polymeric linking agent with the sandstone reservoir to bond the silane group of the aminosilane with particles of sand and provide agglomeration as a result of covalent bonding of the linking agent with a plurality of aminosilanes.

  一种控制砂岩储层产砂量的方法，包括提供(i)氨基硅烷和(ii)聚合连接剂，聚合连接剂包含具有选自由羧酸、羧酸酯和酰胺组成的组的下垂官能团的单体单元，其中多个下垂官能团通过选自由羧酸酯基团氨解组成的组的过程与氨基硅烷的氨基反应、在醛活化剂或其组合存在下，氨基硅烷的氨基与多个至少一个羧酸和酰胺悬垂基团之间的曼尼希反应，将氨基硅烷和聚合物连接剂与砂岩储层接触，使氨基硅烷的硅烷基团与砂颗粒结合，并由于连接剂与多个氨基硅烷的共价键合而形成团聚。
• Synthesis and in vitro cytotoxicity of hexacyclic camptothecin analogues
  作者：Sang-sup Jew、Hee-Jin Kim、Myoung Goo Kim、Eun-Young Roh、Chung Il Hong、Joon-Kyum Kim、Jun-Hee Lee、Heesoon Lee、Hyeung-geun Park

  DOI：10.1016/s0960-894x(99)00555-7

  日期：1999.11

  A series of C(7)-N-alkylaminoethyl-C(10), C(11)-methylenedioxy- and ethylenedioxy-camptothecin (3a-g, 4a-h) were prepared. Their syntheses and in vitro cytotoxicity were reported. Among 15 derivatives, 3a and 3b showed more potent cytotoxicity than Camptothecin, especially in CAOV-3 cell line. (C) 1999 Elsevier Science Ltd. All rights reserved.
• Additivity or cooperativity: Which model can predict the influence of simultaneous incorporation of two or more functionalities in a ligand molecule?
  作者：Nader N. Nasief、David Hangauer

  DOI：10.1016/j.ejmech.2014.11.056

  日期：2015.1

  Predicting how binding affinity responds to ligand structural modifications in structure-activity relationship studies (SAR) is a major challenge in medicinal chemistry. This is particularly true when two or more of these modifications are carried out simultaneously. In this study, we present binding affinity data from several series of thermolysin inhibitors in which simultaneous structural modifications were investigated to determine whether they are cooperative or additive. Data revealed that, while additivity is at work in some cases, cooperativity is more commonly demonstrated. Cooperativity and additivity were then correlated with ligand descriptors, such as the spacing and the topological features of the modified groups, in a manner that may provide guidance as to when each model should be utilized. Cooperativity was particularly associated with contiguous groups and small unbranched hydrophobic side chain. Additivity, on the other hand, was associated with moderately distant hydrophobic group combinations and side chain branching. Such correlations can improve the predictability of SAR studies and can provide a starting point for additional investigations that may lead to further significant enhancements in the current scoring functions. (C) 2014 Elsevier Masson SAS. All rights reserved.