N-[(4-溴苯基)甲基]丁胺 | 60509-40-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-[(4-溴苯基)甲基]丁胺
• 中文别名: (4-溴苄基)丁基-1-胺；(R)-丁酸缩水甘油酯
• 英文名称: N-(4-bromobenzyl)butan-1-amine
• 英文别名: (4-bromo-benzyl)(butyl)amine；(4-Brom-benzyl)-butyl-amin；Benzenemethanamine, 4-bromo-N-butyl-；N-[(4-bromophenyl)methyl]butan-1-amine
• CAS: 60509-40-2
• 化学式: C₁₁H₁₆BrN
• mdl: MFCD07409923
• 分子量: 242.159
• InChiKey: MCNOIXPMJHKLAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2921499090

反应信息

• 作为反应物：
  描述：

  三乙基硼 、 N-[(4-溴苯基)甲基]丁胺 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 caesium carbonate 作用下， 以 四氢呋喃 为溶剂， 以92%的产率得到Butyl[(4-ethylphenyl)methyl]amine
  参考文献：
  名称：

  在温和的非水条件下，三烷基硼烷与芳族溴化物的直接B-烷基铃木-Miyaura交叉偶联存在未掩盖的酸性或基本功能以及对碱不稳定的保护作用

  摘要：

  Abstractmagnified imageAn efficient and chemoselective palladium‐catalyzed direct B‐alkyl Suzuki–Miyaura cross‐coupling of trialkylboranes with diversely functionalized aryl bromides is described. A wide variety of unmasked acidic or basic functions are tolerated. The mild non‐aqueous conditions are compatible with aldehydes, ketones, nitriles, chloro substitution as well as base‐labile phenolic Piv and TBS protecting groups. The anhydrous conditions were found to be advantageous for aryl bromide substrates. A potent CEPT inhibitor was efficiently synthesised using this protocol.

  DOI：

  10.1002/adsc.200800630
• 作为产物：
  描述：

  N-(4-bromobenzylidene)butan-1-amine 在 silica gel 、 C₂₅H₅₂N₅NdSi₄ 作用下， 以 氯苯 为溶剂， 生成 N-[(4-溴苯基)甲基]丁胺
  参考文献：
  名称：

  2-N,N-二甲氨基-乙烯-亚氨基官能化吲哚配体稀土金属配合物的合成与表征及其对亚胺氢化硅烷化的催化活性

  摘要：

  2 - N , N-二甲基氨基-亚乙基-亚氨基官能化吲哚前配体2-(Me 2 NCH 2 CH 2 N = CH)C 8 H 5 NH (H L ) 与[(Me 3 Si) 2 N]的反应3 RE(μ-Cl)Li(THF) 3在甲苯中得到一系列稀土金属氨基络合物 [κ 3 -( N , N , N )-2-(Me 2 NCH 2 CH 2 N = CH)C 8 H 5 N]RE[N(SiMe 3 )2 ] 2 (RE = Y ( 1a ), Nd ( 1b ), Sm ( 1c ), Gd ( 1d ), Dy ( 1e ), Er ( 1f ), 和 Yb ( 1g ))。H L与 [(Me 3 Si) 2 N] 3 Eu(μ-Cl)Li(THF) 3反应生成二聚体形式的铕(II)络合物[{(η 5 -μ-η 1 : η 1 :η 1 )-2-(Me 2 NCH 2 CH 2 N=CH )C

  DOI：

  10.1021/acs.organomet.2c00412

文献信息

• Palladium- and Nickel-Catalyzed Cross-Couplings of Unsaturated Halides Bearing Relatively Acidic Protons with Organozinc Reagents
  作者：Georg Manolikakes、Carmen Muñoz Hernandez、Matthias A. Schade、Albrecht Metzger、Paul Knochel

  DOI：10.1021/jo8015852

  日期：2008.11.7

  aryl, heteroaryl, alkyl, and benzylic zinc reagents were coupled with unsaturated aryl halides bearing an acidic NH or OH proton, using Pd(OAc)2 (1 mol %) and S-Phos (2 mol %) as catalyst without the need of protecting groups. A similar nickel-catalyzed reaction is described. The relative kinetic basicity of organozinc compounds as well as their stability toward acidic protons is also described.

  多种多官能芳基，杂芳基，烷基和苄基锌试剂与带有酸性NH或OH质子的不饱和芳基卤化物偶合，使用Pd（OAc）2（1 mol％）和S-Phos（2 mol％）作为不需要保护基的催化剂。描述了类似的镍催化反应。还描述了有机锌化合物的相对动力学碱性及其对酸性质子的稳定性。
• Palladium-Catalyzed Carbonylative Synthesis of Isoindolinones from Benzylamines with TFBen as the CO Source
  作者：Lu-Yang Fu、Jun Ying、Xinxin Qi、Jin-Bao Peng、Xiao-Feng Wu

  DOI：10.1021/acs.joc.8b02862

  日期：2019.2.1

  A palladium-catalyzed C–H carbonylation of benzylamines for the synthesis of isoindolinone scaffolds has been developed. This protocol is conducted under gas-free conditions by using benzene-1,3,5-triyl triformate (TFBen) as a convenient CO surrogate, furnishing a variety of isoindolinone derivatives in moderate to high yields (up to 95%).

  已经开发了钯催化的苄胺的CH羰基化反应，用于合成异吲哚啉酮骨架。该方案是在无气体的条件下通过使用1,2,3,5-三甲酸三苯酯（TFBen）作为便利的一氧化碳替代物进行的，以中等至高收率（高达95％）提供各种异吲哚啉酮衍生物。
• LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT
  申请人：Wakiyama Yoshinari

  公开号：US20100210570A1

  公开（公告）日：2010-08-19

  An objective of the present invention is to provide compounds of formula (1) or their pharmacologically acceptable salts or solvates wherein A represents aryl; R 1 represents N-optionally substituted C 1-6 alkyl-N-optionally substituted C 1-6 alkylamino-C 1-6 alkyl; R 2 represents a hydrogen atom or optionally substituted C 1-6 alkyl; R 3 represents optionally substituted C 1-6 alkyl or C 3-6 cycloalkyl-C 1-4 alkyl; m is 1 to 3; n is 0; and p is 0 to 2. The compounds are novel lincomycin derivatives that have a potent activity against resistant Streptococcus pneumoniae, which have recently posed problems, in the treatment of infectious diseases. Further, the compounds are usable as antimicrobial agents and are useful for preventing or treating bacterial infectious diseases.

  本发明的目标是提供以下化合物(1)或其药理学上可接受的盐或溶剂，其中A代表芳基；R1代表N-可选取代的C1-6烷基-N-可选取代的C1-6烷基氨基-C1-6烷基；R2代表氢原子或可选取代的C1-6烷基；R3代表可选取代的C1-6烷基或C3-6环烷基-C1-4烷基；m为1至3；n为0；p为0至2。这些化合物是新颖的林可霉素衍生物，对最近在感染性疾病治疗中引起问题的耐药性肺炎链球菌具有强效活性。此外，这些化合物可用作抗微生物药物，有助于预防或治疗细菌感染性疾病。
• Benzimidazole derivatives and their use as a medicament
  申请人：Poitout Lydie

  公开号：US20090170922A1

  公开（公告）日：2009-07-02

  A subject of the present application is new benzimidazole derivatives of formula in which A, Y, R 1 , R 2 , R 3 and R 4 represent different variable groups. These products have an antagonist activity of GnRH (Gonadotropin-Releasing Hormone). The invention also relates to pharmaceutical compositions containing said products and their use for the preparation of a medicament.

  本申请的主题是公式中A、Y、R1、R2、R3和R4代表不同变量基团的新苯并咪唑衍生物。这些产物具有GnRH（促性腺激素释放激素）的拮抗活性。本发明还涉及含有所述产物的制药组合物及其用于制备药物的用途。
• [EN] SELECTIVE HISTONE DEACETYLASE 6 INHIBITORS<br/>[FR] INHIBITEURS SÉLECTIFS DE L'HISTONE DÉSACÉTYLASE 6
  申请人：THE BOARD OF TRUSTEES OF THE UNIV OF ILLINOS

  公开号：WO2021263171A1

  公开（公告）日：2021-12-30

  The present disclosure provides methods, pharmaceutical compositions, and kits comprising histone deacetylase (HD AC) inhibitors of formula I, or a pharmaceutically acceptable salt thereof, wherein R1, R2, L1, L2, m, n, p, X, Y, and Z are as defined in the specification, including methods of increasing the sensitivity of cancer cells to the cytotoxic effects of radiotherapy and/or chemotherapy in a subject.

  本公开提供了一种方法、制药组合物和工具包，其中包括式I的组蛋白去乙酰化酶（HDAC）抑制剂或其药学上可接受的盐，其中R1、R2、L1、L2、m、n、p、X、Y和Z如规范中所定义，包括增加癌细胞对放疗和/或化疗的细胞毒性作用的敏感性方法。