Methyl-ethyl-essigsaeure-dimethylamid | 5592-02-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Methyl-ethyl-essigsaeure-dimethylamid
• 英文别名: N.N-Dimethyl-2-methyl-butyramid；(+/-)-2-methyl-butyric acid dimethylamide；(+/-)-2-Methyl-buttersaeure-dimethylamid；N,N,2-trimethylbutanamide
• CAS: 5592-02-9
• 化学式: C₇H₁₅NO
• 分子量: 129.202
• InChiKey: CJBSHJOOFLPMKG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  Methyl-ethyl-essigsaeure-dimethylamid 在 草酰氯 、 溶剂黄146 、 三乙胺 、 lithium diisopropyl amide 、 sodium nitrite 作用下， 以 四氢呋喃 、 正庚烷 、 乙基苯 为溶剂， 反应 25.75h， 生成 3-(1-Ethyl-1-methyl-pentyl)-6-methylsulfanyl-[1,2,4,5]tetrazine
  参考文献：
  名称：

  A Simple Route to Unsymmetrically Substituted 1,2,4,5-Tetrazines

  摘要：

  DOI：

  10.1021/jo00105a059
• 作为产物：
  描述：

  N,N-二甲基丙酰胺 、 碘乙烷 生成 Methyl-ethyl-essigsaeure-dimethylamid
  参考文献：
  名称：

  Alkylation of N,N-Dimethylamides via Carbanion Intermediates

  摘要：

  DOI：

  10.1021/jo01341a528

文献信息

• Imidazole hydrochloride promoted synthesis of 3,5-disubstituted-1,2,4-oxadiazoles
  作者：Xuetong Wang、Yin Wang、Xiaoling Liu、Tingshu He、Lingli Li、Huili Wu、Shangjun Zhou、Dan Li、Siwei Liao、Ping Xu、Xing Huang、Jianyong Yuan

  DOI：10.1016/j.tet.2021.132496

  日期：2021.11

  Imidazole hydrochloride as an additive promotes the reaction of amidoximes and DMA derivatives to generated 3,5-disubstituted-1,2,4-oxadiazoles in low to excellent yields without the use of coupling reagents, oxidants, strong acids or bases and other additives.

  咪唑盐酸盐作为添加剂促进酰胺肟和 DMA 衍生物反应生成 3,5-二取代-1,2,4-恶二唑，收率从低到高，无需使用偶联剂、氧化剂、强酸或强碱和其他添加剂。
• Chemoselective formal β-functionalization of substituted aliphatic amides enabled by a facile stereoselective oxidation event
  作者：Adriano Bauer、Nuno Maulide

  DOI：10.1039/c9sc03715b

  日期：——

  Aliphatic C-H functionalization is a topic of current intense interest in organic synthesis. Herein, we report that a facile and stereoselective dehydrogenation event enables the functionalization of aliphatic amides at different positions in a one-pot fashion. Derivatives of relevant pharmaceuticals were formally functionalized in the β-position in late-stage manner. A single-step synthesis of incrustoporine

  脂肪族 CH 官能化是当前有机合成中的一个热门话题。在这里，我们报道了一种简单的立体选择性脱氢事件能够以一锅方式在不同位置对脂肪族酰胺进行功能化。相关药物的衍生物以后期方式在β位正式官能化。从简单的前体一步合成 incrustoporine 进一步展示了这种方法的潜在效用。
• Ligand-Enabled, Palladium-Catalyzed β-C(sp³)–H Arylation of Weinreb Amides
  作者：Hojoon Park、Nikita Chekshin、Peng-Xiang Shen、Jin-Quan Yu

  DOI：10.1021/acscatal.8b03014

  日期：2018.10.5

  report the development of Pd(II)-catalyzed C(sp3)–H arylation of Weinreb amides. Both the inductive effect and the potential bidentate coordination mode of the Weinreb amides pose a unique challenge for this reaction development. A pyridinesulfonic acid ligand is designed to accommodate the weak, neutral-coordinating property of Weinreb amides by preserving the cationic character of Pd center through zwitterionic

  我们报告了Weinreb酰胺的Pd（II）催化的C（sp 3）-H芳基化反应的发展。Weinreb酰胺的诱导作用和潜在的双齿配位模式都对该反应的发展提出了独特的挑战。吡啶磺酸配体被设计为通过Pd /配体络合物的两性离子组装来保留Pd中心的阳离子特性，从而适应Weinreb酰胺的弱，中性配位性能。C–H裂解步骤的密度泛函理论（DFT）研究表明，与Ac-Gly-OH和无配体条件相比，3-吡啶磺酸配体的优异反应性源自与底物结合的整个Pd物种的稳定化。
• [EN] NECROSIS INHIBITORS<br/>[FR] INHIBITEURS DE NÉCROSE
  申请人：NAT INST OF BIOLOG SCIENCES BEIJING

  公开号：WO2016101885A1

  公开（公告）日：2016-06-30

  The invention provides amides that inhibit cellular necrosis and/or human receptor interacting protein 1 kinase (RIP1), including corresponding sulfonamides, and pharmaceutically acceptable salts, hydrides and stereoisomers thereof. The compounds are employed in pharmaceutical compositions, and methods of making and use, including treating a person in need thereof with an effective amount of the compound or composition, and detecting a resultant improvement in the person's health or condition.

  该发明提供了抑制细胞坏死和/或人类受体相互作用蛋白1激酶（RIP1）的酰胺，包括相应的磺酰胺以及其药用可接受的盐、氢化物和立体异构体。这些化合物用于制备药物组合物，并用于制备和使用方法，包括以有效量的该化合物或组合物治疗需要的人，并检测该人的健康或状况的改善。
• TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALT, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING THE SAME
  申请人：Shibata Norio

  公开号：US20120130090A1

  公开（公告）日：2012-05-24

  A trifluoromethylthiophenium derivative salt useful as synthetic intermediates for pharmaceuticals and agrochemicals, a method for producing the same, and a method for producing trifluoromethyl-containing compounds using the same are provided. An S-(trifluoromethyl)-benzo[b]thiophenium derivative salt is represented by the following general formula (1): wherein R 1 , R 2 , R 3 , and R 4 are each independently a hydrogen atom, a methyl group, an ethyl group, a linear, branched, or cyclic alkyl group having 3 to 10 carbon atoms, a methoxy group, an ethoxy group, a linear, branched, or cyclic alkyloxy group having 3 to 10 carbon atoms, a fluorine atom, a chlorine atom, a bromine atom, a nitro group, or a cyano group, R 5 is a methyl group, an ethyl group, a linear, branched, or cyclic alkyl group having 3 to 10 carbon atoms, a phenyl group, or a substituted phenyl group, and X − represents an anion. Various trifluoromethyl-containing compounds are produced using a method for producing the S-(trifluoromethyl)-benzo[b]thiophenium derivative salt, and using the S-(trifluoromethyl)-benzo[b]thiophenium derivative salt as a trifluoromethylating agent.

  本发明提供一种三氟甲基噻吩盐衍生物，可用作制药和农药的合成中间体，以及其制备方法和使用该盐衍生物制备含三氟甲基化合物的方法。S-(三氟甲基)-苯并[b]噻吩盐衍生物由下列普通式（1）表示：其中，R1、R2、R3和R4各自独立地是氢原子、甲基基团、乙基基团、具有3至10个碳原子的线性、支链或环烷基基团、甲氧基基团、乙氧基基团、具有3至10个碳原子的线性、支链或环烷氧基基团、氟原子、氯原子、溴原子、硝基或氰基，R5是甲基基团、乙基基团、具有3至10个碳原子的线性、支链或环烷基基团、苯基或取代苯基，X-表示阴离子。使用制备S-(三氟甲基)-苯并[b]噻吩盐衍生物的方法以及使用S-(三氟甲基)-苯并[b]噻吩盐衍生物作为三氟甲基化试剂可以制备各种三氟甲基含量的化合物。