benzyl-chloromethyl-methyl-amine | 90415-71-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzyl-chloromethyl-methyl-amine
• 英文别名: Benzyl-chlormethyl-methyl-amin；N-(chloromethyl)-N-methyl-1-phenylmethanamine
• CAS: 90415-71-7
• 化学式: C₉H₁₂ClN
• 分子量: 169.654
• InChiKey: FHXZUNYCHHLNHD-UHFFFAOYSA-N

物化性质

• 沸点：
  204.8±23.0 °C(Predicted)
• 密度：
  1.077±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  benzyl-chloromethyl-methyl-amine 、 N,N-二甲基苯胺盐酸 在 乙腈 作用下， 生成 4-((苄基(甲基)氨基)甲基)-N,N-二甲基苯胺
  参考文献：
  名称：

  Boehme et al., Chemische Berichte, 1957, vol. 90, p. 2003,2006

  摘要：

  DOI：
• 作为产物：
  描述：

  乙氧基甲基苄基甲基胺 在 盐酸 、 乙醚 作用下， 生成 benzyl-chloromethyl-methyl-amine
  参考文献：
  名称：

  Boehme; Ellenberg, Chemische Berichte, 1959, vol. 92, p. 2976,2979

  摘要：

  DOI：

文献信息

• [EN] IMPROVED PROCESS FOR THE REDUCTIVE AMINATION AND SELECTIVE HYDROGENATION OF SUBSTRATES CONTAINING A SELECTED HALOGEN<br/>[FR] PROCÉDÉ PERFECTIONNÉ POUR L'AMINATION RÉDUCTRICE ET L'HYDROGÉNATION SÉLECTIVE DE SUBSTRATS CONTENANT UN HALOGÈNE CHOISI
  申请人：TAMINCO

  公开号：WO2015032653A1

  公开（公告）日：2015-03-12

  Disclosed is a process for performing a chemical reaction selected from reductive amination and hydrogenation of a first functional group in an organic feed substrate, which feed substrate comprises at least one further functional group containing a halogen atom, wherein the halogen atom is selected from the list consisting of chlorine, bromine, iodine, and combinations thereof, in the presence of hydrogen and a heterogeneous catalyst comprising at least one metal from the list of Pd, Rh, and Ru, together with at least a second metal from the list consisting of Ag, Ni, Co, Sn, Cu and Au. The process is preferably applied for the reductive amination of 2-chloro- benzaldehyde to form 2-chloro-benzyldimethylamine, as an intermediate in the production of agrochemically active compounds and microbiocides of the methoximinophenylglyoxylic ester series. Further disclosed is a composition rich in 2-chloro-benzyldimethylamine, further comprising an amount of 2- chloro-benzyl alcohol and being low in chlorotoluene isomers.

  公开了一种用于在有机原料基质中选择性进行还原胺化和氢化反应的过程，该原料基质包括至少含有一个含有卤素原子的进一步功能基团，其中卤素原子选自氯、溴、碘和它们的组合列表，存在氢气和由Pd、Rh和Ru列表中至少一种金属以及由Ag、Ni、Co、Sn、Cu和Au列表中至少一种第二金属组成的非均相催化剂。该过程通常应用于将2-氯苯甲醛还原胺化为2-氯苯乙基二甲胺，作为生产农药活性化合物和甲氧基苯基甘氧基乙酸酯系列微生物杀灭剂的中间体。还公开了一种富含2-氯苯乙基二甲胺的组合物，还包括一定量的2-氯苯乙醇，并且低含氯甲苯异构体。
• IMPROVED PROCESS FOR THE REDUCTIVE AMINATION AND SELECTIVE HYDROGENATION OF SUBSTRATES CONTAINING A SELECTED HALOGEN
  申请人：Taminco bvba

  公开号：EP3041819A1

  公开（公告）日：2016-07-13
• IMPROVED PROCESS FOR THE REDUCTIVE AMINATION OF HALOGEN-CONTAINING SUBSTRATES
  申请人：Taminco bvba

  公开号：EP3374344A1

  公开（公告）日：2018-09-19
• Functionalized Tyrosine Kinase Inhibitors Modified with Precious Metal Electrophiles and Methods Associated Therewith
  申请人：WAKE FOREST UNIVERSITY

  公开号：US20170081293A1

  公开（公告）日：2017-03-23

  Newly synthesized thiourea-modified 3-chloro-4-fluoroanilino-quinazoline derivatives have been studied as terminal carrier ligands in linear gold(I) complexes. The molecules mimic the tyrosine kinase inhibitor gefitinib (by computational docking experiments). Thiourea groups were either directly attached to quinazoline-C6 or linked to this position via a flexible ethylamino chain. One compound tested acts as a thiourea-S/quinazoline-N1 mixed-donor ligand, giving an unusual dinuclear complex as determined by X-ray crystallography and/or electrospray mass spectrometry. One compound formed the desired stable linear complex. The biological activity of the carrier ligands and corresponding gold(I) complexes was studied in NCI-H460 and NCI-H1975 lung cancer cells. One compound that was tested partially overcomes resistance to gefitinib in NCI-H1975 (with IC 50 values of 1.7 and 30 μM, respectively), and the corresponding gold complex (13) maintains activity in the low-micromolar concentration range.
• [EN] IMPROVED PROCESS FOR THE REDUCTIVE AMINATION OF HALOGEN-CONTAINING SUBSTRATES<br/>[FR] PROCÉDÉ D'AMINATION RÉDUCTRICE AMÉLIORÉ DE SUBSTRATS HALOGÉNÉS
  申请人：TAMINCO BVBA

  公开号：WO2017081546A1

  公开（公告）日：2017-05-18

  Disclosed is a process for performing a reductive amination of a first functional group in an organic feed substrate, which feed substrate comprises at least one further functional group containing a halogen atom, in the presence of hydrogen, a nitrogen-containing compound, and a catalyst, wherein the presence of the nitrogen-containing compound, expressed in a molar ratio relative to the first functional group in the organic feed substrate, at least during the reaction as long as the conversion of the organic feed substrate has not yet reached 80%, is maintained below a level of 1.3. Further disclosed is a composition of the invention comprising at least 98.0%wt of 2-chloro-benzyl-dimethylamine, at most 0.60%wt of the meso-o- CI-BDMA dimer and at least 1 ppm wt of the (+/-)-o-CI-BDMA dimer and any use therefor.