4-甲基戊胺盐酸盐 | 116008-13-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 4-甲基戊胺盐酸盐
• 英文名称: 4-methylpentan-1-amine hydrochloride
• 英文别名: 4-methylpentan-1-amine;hydrochloride
• CAS: 116008-13-0
• 化学式: C₆H₁₅N*ClH
• mdl: MFCD16040097
• 分子量: 137.653
• InChiKey: YQZPRXHVRLGGFH-UHFFFAOYSA-N

物化性质

• 熔点：
  220 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.43
• 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：
  26
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  光气 、 4-甲基戊胺盐酸盐 在 甲苯 作用下， 生成 1-异氰酸基-4-甲基戊烷
  参考文献：
  名称：

  Siefken, Justus Liebigs Annalen der Chemie, 1949, vol. 562, p. 75,1114

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(4-methylpentyl)isoindoline-1,3-dione 在 肼 、 盐酸 作用下， 以 乙醇 为溶剂， 反应 0.25h， 以72%的产率得到4-甲基戊胺盐酸盐
  参考文献：
  名称：

  Histamine H3 and H4 receptor affinity of branched 3-(1H-imidazol-4-yl)propyl N-alkylcarbamates

  摘要：

  A series of imidazole-containing (non-)chiral carbamates were tested at human histamine H-3 receptor (H3R). All compounds displayed K-i values below 100 nM. A trend for a stereoselectivity at human H3R was observed for the chiral alpha-branched ligands. Selected compounds were also tested at human histamine H-4 receptor and showed moderate to weak affinities (118-1460 nM). (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.005

文献信息

• [EN] SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS<br/>[FR] IMIDAZOLE CARBOXAMIDES SUBSTITUÉS ET LEUR UTILISATION DANS LE TRAITEMENT DE TROUBLES MÉDICAUX
  申请人：BIAL BIOTECH INVEST INC

  公开号：WO2021055612A1

  公开（公告）日：2021-03-25

  The invention provides substituted imidazole carboxamides and related compounds, compositions containing such compounds, medical kits, and methods for using such compounds and compositions to treat a medical disorder, e.g., cancer, lysosomal storage disorder, neurodegenerative disorder, inflammatory disorder, in a patient.

  这项发明提供了替代咪唑羧酰胺及相关化合物，含有这些化合物的组合物，医疗工具包，以及使用这些化合物和组合物治疗患者的医疗障碍，例如癌症、溶酶体贮积症、神经退行性疾病、炎症性疾病等的方法。
• Remote Site-Specific Radical Alkynylation of Unactivated C–H Bonds
  作者：Lin Wang、Yong Xia、Klaus Bergander、Armido Studer

  DOI：10.1021/acs.orglett.8b02514

  日期：2018.9.21

  A method for remote radical C–H alkynylation at unactivated sites is reported. C–H functionalization proceeds via 1,5-hydrogen atom transfer (HAT) to amidyl radicals that are generated via an addition/fragmentation reaction. The readily installed N-allylsulfonyl moiety is used as a precursor of the N-centered radical. Unactivated secondary and tertiary as well as selected primary C–H bonds can be functionalized

  报道了一种在未激活位点进行远程自由基C–H炔基化的方法。C–H官能化通过1,5-氢原子转移（HAT）进行，通过加成/片段化反应生成的a基自由基。易于安装的N-烯丙基磺酰基部分用作N中心自由基的前体。未激活的二级和三级以及选定的一级C–H键可通过此方法进行功能化。
• Site-Selective Remote Radical C−H Functionalization of Unactivated C−H Bonds in Amides Using Sulfone Reagents
  作者：Yong Xia、Lin Wang、Armido Studer

  DOI：10.1002/anie.201807455

  日期：2018.9.24

  A general and practical strategy for remote site‐selective functionalization of unactivated aliphatic C−H bonds in various amides by radical chemistry is introduced. C−H bond functionalization is achieved by using the readily installed N‐allylsulfonyl moiety as an N‐radical precursor. The in situ generated N‐radical engages in intramolecular 1,5‐hydrogen atom transfer to generate a translocated C radical

  介绍了一种通过自由基化学方法对各种酰胺中未活化的脂肪族CH键进行远程位点选择性官能化的通用和实用策略。通过使用易于安装的N-烯丙基磺酰基部分作为N-自由基前体，可以实现C-H键的功能化。原位生成的N自由基参与分子内1,5-氢原子转移，生成易位的C基团，随后将其捕获在各种砜试剂中，以提供相应的CHH官能化酰胺。该方法的通用性由成功的远程C-N记录3，C-CL，C-BR，C-SCF 3，C-SPh上，和C-C键的形成。未活化的叔和仲CH键以及活化的CH主键可以通过此方法轻松地进行功能化。
• Alkyl-chain disorder in tetraisohexylammonium bromide
  作者：Malcolm A. Kelland、Amber L. Thompson

  DOI：10.1107/s0108270112009377

  日期：2012.4.15

  Tetraisohexylammonium bromide [systematic name: tetrakis(4-methylpentyl)azanium bromide], C₂₄H₅₂N⁺·Br⁻, is a powerful structure II clathrate hydrate crystal-growth inhibitor. The crystal structure, in the space groupP3₂21, contains one ammonium cation and one bromide anion in the asymmetric unit, both on general positions. At 100 K, the ammonium cation exhibits one ordered isohexyl chain and three disordered isohexyl chains. At 250 K, all four isohexyl chains are disordered. In an effort to reduce the disorder in the alkyl chains, the crystal was thermally cycled, but the disorder remained, indicating that it is dynamic in nature.

  四异己基溴化铵[系统名称：四(4-甲基戊基)溴化铵]，C24H52N+-Br-，是一种强大的结构 II 克拉水合物晶体生长抑制剂。该晶体结构的空间群为 P3221，在不对称单元中包含一个铵阳离子和一个溴阴离子，两者均位于一般位置。在 100 K 时，铵阳离子显示出一条有序的异己基链和三条无序的异己基链。在 250 K 时，所有四条异己基链都是无序的。为了减少烷基链的无序性，对晶体进行了热循环，但无序性依然存在，这表明它具有动态性质。
• Phenothiazine derivatives, their preparation and pharmaceutical
  申请人：Rhone-Poulenc Sante

  公开号：US04985419A1

  公开（公告）日：1991-01-15

  Phenothiazine derivatives of formula: ##STR1## in which Y is hydrogen or halogen, R.sub.1 and R.sub.2, which may be identical or different, denote alkyl, cycloalkyl-alkyl, hydroxyalkyl or acetyloxyalkyl radicals or form, together with the nitrogen atom to which they are attached, an optionally substituted, saturated or partially unsaturated 4- to 7-membered heterocycle; and either X is oxygen, sulphur or: N-R.sub.4, R is cycloalkyl, phenyl or --CH.sub.2 R.sub.3, R.sub.3 is H, alkyl (1 to 5 C), alkenyl or alkynyl (2 to 4 C), cycloalkyl (3 to 6 C), phenyl, substituted phenyl or a heterocyclic radical, R.sub.4 is H or --CN, except that X is not oxygen if, simultaneously, R.sub.3 is H or alkyl, R.sub.1 and R.sub.2 are alkyl or NR.sub.1 R.sub.2 forms an unsubstituted heterocycle, and Y is H; or X is: N-R.sub.4 and R.sub.4 forms, with R and the neighbouring atoms, an optionally substituted imidazolyl or imidazolinyl radical or a hexahydrobenzimidazolyl radical, in their isomeric forms and mixtures thereof and their acid addition salts are useful as analgesics and diuretics.

  公式为：##STR1## 其中Y为氢或卤素，R.sub.1和R.sub.2可以相同也可以不同，表示烷基，环烷基-烷基，羟基烷基或醋氧基烷基基团，或者与它们所连接的氮原子一起形成一个可选的取代的饱和或部分不饱和的4-至7-成员杂环；而X为氧、硫或：N-R.sub.4，R为环烷基、苯基或--CH.sub.2 R.sub.3，R.sub.3为H、烷基（1至5个碳）、烯基或炔基（2至4个碳）、环烷基（3至6个碳）、苯基、取代苯基或杂环基，R.sub.4为H或--CN，但如果同时R.sub.3为H或烷基，R.sub.1和R.sub.2为烷基或NR.sub.1 R.sub.2形成未取代的杂环，则X不为氧，Y为H；或X为：N-R.sub.4，R.sub.4与R和相邻原子一起形成可选的取代咪唑基或咪唑啉基基团或六氢苯并咪唑基基团，它们的异构体和混合物及其酸加合物可用作镇痛剂和利尿剂。