2-fluoro-N-methoxy-N-methyl-acetamide | 86455-17-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-fluoro-N-methoxy-N-methyl-acetamide
• 英文别名: N,O-dimethylfluoroacetamide；N-methoxy-N-methylfluoroacetamide；N-methyl-N-methoxy-fluoroacetamide；2-Fluoro-N-methoxy-N-methylacetamide
• CAS: 86455-17-6
• 化学式: C₄H₈FNO₂
• 分子量: 121.111
• InChiKey: GZDGUPMUKOMHGS-UHFFFAOYSA-N

物化性质

• 沸点：
  108.4±42.0 °C(Predicted)
• 密度：
  1.093±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-丙炔溴化镁 、 2-fluoro-N-methoxy-N-methyl-acetamide 以 四氢呋喃 为溶剂， 反应 4.5h， 以89%的产率得到1-Fluoropent-3-yn-2-one
  参考文献：
  名称：

  Dissecting AI-2-mediated quorum sensing through C5-analogue synthesis and biochemical analysis

  摘要：

  Autoinducer-2 (AI-2)-mediated quorum sensing (QS) is utilised for both intra- and inter-species communication by a wide variety of bacteria. An understanding of the mechanism of this communication has the potential to elucidate new targets for antibacterial therapeutics. Herein, we report the synthesis of DPD analogues with modified dynamic equilibria and the evaluation of their behaviour in Gram-negative bacteria. None of the compounds showed modulation of QS in Salmonella Typhimurium, and although no antagonism of Vibrio harveyi was observed, chloro-analogue C5-Cl-DPD showed modest agonism in this marine bacterium. This raises the possibility that access to a cyclic form of DPD may not be required for AI-2-mediated QS in V. harveyi. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2015.08.063
• 作为产物：
  描述：

  2-溴-N-甲氧基-N-甲基乙酰胺 在 potassium fluoride 、 18-冠醚-6 作用下， 以 乙腈 为溶剂， 以91 %的产率得到2-fluoro-N-methoxy-N-methyl-acetamide
  参考文献：
  名称：

  设计为 EcDsbA 共价修饰物的氟甲基酮片段偶联物是非典型底物

  摘要：

  我们报道了氧化还原酶 DsbA 可以翻转巯基反应官能团，例如氟甲基酮和马来酰亚胺。

  DOI：

  10.1002/cmdc.202300684

文献信息

• [EN] HEPATITIS C VIRUS INHIBITORS<br/>[FR] INHIBITEURS DU VIRUS DE L'HEPATITE C
  申请人：LG LIFE SCIENCES LTD

  公开号：WO2004111013A1

  公开（公告）日：2004-12-23

  The present invention relates to new compounds useful for the treatment or prevention of hepatitis C, process for preparing them, and a composition for the treatment or prevention of hepatitis C comprising the compounds as an active ingredient.

  本发明涉及用于治疗或预防丙型肝炎的新化合物，制备这些化合物的方法，以及包含这些化合物作为活性成分的用于治疗或预防丙型肝炎的组合物。
• Conformational preferences for some 2-substituted N-methoxy-N-methylacetamides through spectroscopic and theoretical studies
  作者：Paulo R. Olivato、Roberto da Silva Gomes、Alessandro Rodrigues、Adriana K.C.A. Reis、Nelson L.C. Domingues、Roberto Rittner、Maurizio Dal Colle

  DOI：10.1016/j.molstruc.2010.05.021

  日期：2010.8

  predominance, in non polar solvents, for the 2-substituted N -methoxy- N -methyl acetamides 1 – 3 , bearing in α first raw (fluorine and oxygen) atoms, is in the opposite direction to the gauche conformer preference for the corresponding 2-substituted N , N -dialkyl-acetamides.

  摘要 支持的 2-取代 N -甲氧基-N - 甲基乙酰胺 Y–CH 2 C(O)N(OMe)Me (Y = F 1 , OMe 2 , OPh 3 , Cl 4 ) 的红外羰基谱带分析通过 B3LYP/6-311++G(3df, 3pd) 计算以及对 1 – 4 的 NBO 分析，表明存在 cis – gauche 构象异构体，即 1 和 3 的 ( c ) 和 ( g ) ， ( c 1 , c 2) 和(g 1, g 2) 为2，并且(c) 和(g 1, g 2) 为4。在气相中，对于 1 和 3，g 构象异构体群体优于 c 一，对于 2 ，( c 1 + c 2 ) 群体优于 ( g 1 + g 2 ) 一群体，并且 ( g 1 + g 2) 构象种群比 (c) 1 比 4 更丰富。在正己烷溶液中，顺式构象异构体在 1 – 3 中更为丰富。在 ν CO 区域中，在正己烷中，费米共振的发生排除了
• Novel 3-amino-2-oxo-azetidine-1-sulfonic acids
  申请人：Roussel Uclaf

  公开号：US04900728A1

  公开（公告）日：1990-02-13

  Novel syn isomers of racemates and optical isomers of 3-amino-2-oxo-azetidine-1-sulfonic acids of the formula ##STR1## wherein R is selected from the group consisting of hydrogen linear or branched optionally substituted alkyl of 1 to 12 carbon atoms and optionally substituted alkenyl and alkynyl of 2 to 12 carbon atoms, R.sub.1 is --(CH.sub.2).sub.n --X, n is an integer from 1 to 4, X is selected from the group consisting of halogen, --CN, --OR', --SR.sub.1 ", azido, thiocyanate, isothiocyanate, and ##STR2## is selected from the group consisting of hydrogen and alkyl of 1 to 4 carbon atoms, R" is selected from the group consisting of hydrogen, alkyl of 1 to 4 carbon atoms and a heterocycle and R' and R" are individiually selected from the group consisting of hydrogen and alkyl of 1 to 4 carbon atoms and taken together with the nitrogen to which they are attached form a heterocycle and A.sup.1 is selected from the group consisting of hydrogen, and metal cations and their nontoxic, pharmaceutically acceptable acid addition salts, the wavy line indicating the cis form, trans form or cis trans forms having antibiotic properties.

  合成新的同分异构体和3-氨基-2-氧代氮杂环-1-磺酸的光学异构体的方法，其中R从氢、1至12碳原子的线性或支链可选取代烷基和2至12碳原子的可选取代烯基和炔基组成的群中选择，R.sub.1为--(CH.sub.2).sub.n --X，n为1至4之间的整数，X从卤素、--CN、--OR'、--SR.sub.1"、叠氮基、硫氰酸基、异硫氰酸基和##STR2##中选择，其中##STR2##从氢和1至4碳原子的烷基组成的群中选择，R"从氢、1至4碳原子的烷基和杂环组成的群中选择，R'和R"分别从氢和1至4碳原子的烷基组成的群中选择，并与它们连接的氮一起形成一个杂环，A.sup.1从氢和金属阳离子及其无毒、药学上可接受的酸盐中选择，波浪线表示具有抗生素性质的顺式形式、反式形式或顺反式形式。
• 1,2,5,6-tetrahydropyridine oxime compounds
  申请人：Beecham Group p.l.c.

  公开号：US05314901A1

  公开（公告）日：1994-05-24

  Compounds of formula (I) or a pharmaceutically acceptable salt thereof, wherein R.sub.1 represents a 1,2,5,6-tetrahydropyridin-3-yl group N-substituted by R.sub.10 wherein R.sub.10 represents hydrogen, C.sub.1-2 alkyl, prop-2-enyl, prop-2-ynyl or cyclopropyl, R.sub.2 is a group OR.sub.4, where R.sub.4 is C.sub.1-4 alkyl, C.sub.2-4 alkenyl, C.sub.2-4 alkynyl, a group OCOR.sub.5 where R.sub.5 is hydrogen or R.sub.4, or a group NHR.sub.6, or NR.sub.7 R.sub.8 where R.sub.6, R.sub.7 and R.sub.8 are independently C.sub.1-2 alkyl; and R.sub.3 is chloro, fluoro, bromo, methoxy, C.sub.1-3 alkyl substituted by one, two or three halogen atoms, or R.sub.3 is a group (CH.sub.2).sub.n R.sub.9 where R.sub.9 is --CN, --SH or --SCH.sub.3 and n is 0 or 1, with the proviso that when n is 0, R.sub.9 is not --SH; enhance acetylcholine function via an action at muscarinic receptors within the central nervous system and are therefore of potential use in the treatment and/or prophylaxis of dementia in mammals. ##STR1##

  化合物的公式（I）或其药学上可接受的盐，其中R.sub.1代表1,2,5,6-四氢吡啶-3-基N-取代基R.sub.10，其中R.sub.10代表氢，C.sub.1-2烷基，丙-2-烯基，丙-2-炔基或环丙基，R.sub.2是OR.sub.4基团，其中R.sub.4是C.sub.1-4烷基，C.sub.2-4烯基，C.sub.2-4炔基，OCOR.sub.5基团，其中R.sub.5是氢或R.sub.4，或NHR.sub.6基团，或NR.sub.7R.sub.8基团，其中R.sub.6，R.sub.7和R.sub.8独立地是C.sub.1-2烷基；R.sub.3是氯，氟，溴，甲氧基，C.sub.1-3烷基上取代一个，两个或三个卤原子，或R.sub.3是(CH.sub.2).sub.nR.sub.9基团，其中R.sub.9是--CN，--SH或--SCH.sub.3，n为0或1，但当n为0时，R.sub.9不是--SH；通过作用于中枢神经系统内的胆碱能受体增强乙酰胆碱功能，因此在哺乳动物的痴呆症治疗和/或预防中具有潜在用途。
• [EN] FGFR3 INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS DE FGFR3
  申请人：LILLY CO ELI

  公开号：WO2022187443A1

  公开（公告）日：2022-09-09

  The present invention provides compounds of the formula:, for use in the treatment of systemic sclerosis, fibrosis (e.g. pulmonary fibrosis), achondroplasia, thanatophoric dysplasia (e.g. type I), severe achondroplasia with developmental delay and acanthosis nigricans (SADDAN), muenke syndrome or cancer.

  本发明提供了以下式子的化合物，用于治疗全身性硬化、纤维化（例如肺纤维化）、软骨发育不全症、死亡性发育不良（例如I型）、伴发展迟缓和黑棘皮病的严重软骨发育不全症（SADDAN）、明克氏综合症或癌症。