3-甲氧基丙酰胺 | 15438-67-2
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物化性质
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计算性质
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ADMET
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安全信息
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SDS
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制备方法与用途
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上下游信息
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文献信息
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表征谱图
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同类化合物
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相关功能分类
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相关结构分类
物化性质
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熔点：50 °C(Solv: ligroine (8032-32-4))
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沸点：251.1±23.0 °C(Predicted)
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密度：1.013±0.06 g/cm3(Predicted)
计算性质
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辛醇/水分配系数(LogP)：-1.1
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重原子数：7
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可旋转键数：3
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环数：0.0
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sp3杂化的碳原子比例：0.75
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拓扑面积：52.3
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氢给体数：1
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氢受体数：2
安全信息
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海关编码：2924199090
SDS
反应信息
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作为反应物：参考文献：名称：Kilpi, Zeitschrift fur Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre, 1914, vol. 86, p. 671摘要：DOI：
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作为产物：参考文献：名称：三钯配合物催化腈水解摘要：金属团簇催化是一个备受关注的话题，因为团簇可以成为比均相催化剂更好的催化剂。由多齿2,7-二(吡啶-2-基)-1,8-萘啶负载的三钯配合物 Pd 3 是在温和和中性条件下将腈水解成相应酰胺的良好催化剂。通常，使用Pd 3 (1 mol%) 和 AgBF 4作为催化剂，在 50 o C 的水/THF 中 16 小时，将 3-甲氧基丙腈定量水解成 3-甲氧基丙酰胺。DOI：10.1016/j.poly.2023.116452
文献信息
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Process for the manufacture of .alpha.,.beta.-unsaturated N-substituted申请人：Chemische Fabrik Stockhausen & Cie.公开号：US04237067A1公开（公告）日：1980-12-02Process for the manufacture of .alpha.,.beta.-unsaturated N-substituted carboxylic acid amides of the general formula ##STR1## in which R.sup.1 represents H or CH.sub.3 R.sup.2 represents H or CH.sub.3, and Y represents a divalent straight-chain or branched organic radical having 2-30 carbon atoms, and R.sup.3 represents H or the radical of an amine of the formula --N(R.sup.4)(R.sup.5), in which R.sup.4 and R.sup.5 represent alkyl radicals having 1 to 4 carbon atoms, by reacting .beta.-substituted carboxylic acid amides of the formula ##STR2## in which Z represents OH or the radical R.sup.6 O--, in which R.sup.6 is an alkyl radical having 1 to 4 carbon atoms, with amines of the general formula H.sub.2 N--(Y)--R.sub.3 III at temperatures in the range of 100.degree. to 200.degree. C., preferably 120.degree. to 175.degree. C., with the elimination of ammonia, and heating the resulting N-substituted .beta.-hydroxycarboxylic or .beta.-alkoxycarboxylic acid amides in the presence of catalysts, water or alcohol, respectively, being split off. The water is split off at temperatures of 100.degree.-250.degree. C. with acidic catalysts such as phosphoric acid, or basic catalysts such as sodium hydroxide, and alcohol is split off at 70.degree.-150.degree. C. with basic catalysts such as sodium or potassium hydroxide. The reaction product is separated by distillation, optionally in vacuo.翻译结果如下： 生产通式为 ##STR1## 的 α,β-不饱和N-取代羧酸酰胺的方法，其中R.sup.1代表H或CH.sub.3，R.sup.2代表H或CH.sub.3，Y代表具有2-30个碳原子的直链或支链有机二价基团，R.sup.3代表H或公式为--N(R.sup.4)(R.sup.5)的胺的自由基，其中R.sup.4和R.sup.5代表具有1至4个碳原子的烷基自由基，通过将通式为 ##STR2## 的 β-取代羧酸酰胺与通式为 H.sub.2 N--(Y)--R.sub.3 III 的胺在100°C至200°C的温度范围内反应，优选120°C至175°C，同时排除氨，并在催化剂、水或醇的存在下加热所得的N-取代β-羟基羧酸或β-烷氧羧酸酰胺，分别脱水分解。水在100°C至250°C的温度下，在如磷酸等酸性催化剂或如氢氧化钠等碱性催化剂的作用下分解，醇在70°C至150°C的温度下，在如氢氧化钠或氢氧化钾等碱性催化剂的作用下分解。通过蒸馏分离反应产物，可选地在真空条件下进行。
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Formation of a New, Strongly Basic Nitrogen Anion by Metal Oxide Modification作者：Masazumi Tamura、Ryota Kishi、Akira Nakayama、Yoshinao Nakagawa、Jun-ya Hasegawa、Keiichi TomishigeDOI：10.1021/jacs.7b05227日期：2017.8.30viewpoints. Here, a principle for creating a new strong base by hybridization of homogeneous and heterogeneous components is presented. It is based on the modification of organic compounds with metal oxides by using the acid-base property of metal oxides. Based on kinetic and DFT studies, combination of CeO2 and 2-cyanopyridine drastically enhanced the basicity of 2-cyanopyridine by a factor of about 109开发具有独特且前所未有的催化性能的新型杂化材料对化学家来说是一个挑战，而多相-均相杂化催化剂由于期望由组分组合产生的优选和特殊性能而备受关注。碱催化剂作为关键材料广泛应用于有机合成中，一类新的碱催化剂在学术和工业上都产生了很大的影响。在这里，提出了通过同质和异质成分的杂交来创建新的强碱的原理。它是利用金属氧化物的酸碱性质，用金属氧化物对有机化合物进行改性。基于动力学和 DFT 研究，CeO2 和 2-氰基吡啶的组合使 2-氰基吡啶的碱性显着提高了约 109 倍（pKa（在 CH3CN 中）约为 9），估计 pKa 为 21，这将其置于超强碱类别中。2-氰基吡啶和CeO2通过两种相互作用模式形成独特的吸附复合物：（i）CeO2的Ce原子与2-氰基吡啶中吡啶环的N原子之间的配位相互作用，以及（ii）表面O原子之间的共价相互作用通过将 CeO2 的晶格氧加成到 2-氰基吡啶的 CN 基团上，CeO2
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Production of acrylamides申请人：UNION CARBIDE &公开号：US02587210A1公开（公告）日：1952-02-26
An acrylamide of the general formula CH2=CR1CONH2, wherein R1 is hydrogen or a saturated hydrocarbon group of not more than eight carbon atoms, is prepared by a vapour phase process characterized by passing a lower alkoxy amide of the general formula ROCH2CHR1CONH2, wherein R is a saturated hydrocarbon group of not more than eight carbon atoms and R1 is hydrogen or a saturated hydrocarbon of not more than eight carbon atoms, over lithium phosphate or titania as a catalyst maintained at a temperature of 225 DEG to 500 DEG C. If desired, the catalyst may be supported on a carrier such as silica and the converter containing the catalyst may be a length of stainless steel tube, the inlet end of which may be packed with an inert material, e.g. catalytically inert silica, to serve as a preheater or vaporizer for the starting material. A diluent may be employed, e.g. nitrogen or vapour of low boiling liquid such as water or an alkanol. A polymerization inhibitor may be present during the reaction, e.g. N-phenyl-b -naphthylamine, and if the acrylamide is isolated by distillation an inhibitor should be present, e.g. N,N1-di-(b -naphthyl) paraphenylene-diamine. In examples: (1) and (2) acrylamide is obtained by passing b -methoxypropionamide, methanol and N-phenyl-b -naphthylamine, preheated over catalytically inert silica, over heated lithium phosphate, cooling and condensing the products and after addition of di-b -naphthylparaphenylenediamine fractionating under reduced pressure; (3) methacrylamide is similarly obtained using b -methoxyisobutyramide; (4) acrylamide is obtained from b -methoxy-propionamide using titania as catalyst. Processes for the preparation of acrylamide and its homologues referred to include the reaction of ammonia and amines with acrylyl chloride or b -chloropropionyl chloride followed by dehydrochlorination or with b -propiolactone followed by dehydration, the cracking of dimethylamine from b -dimethylamino N-(orthotolyl) propionamide to form N-(orthotolyl) acrylamide and pyrolysis of N,N-dimethyl-a -acetoxypropionamide to give dimethylacrylamide.
通用公式CH2=CR1CONH2的丙烯酰胺，其中R1是氢或不超过八个碳原子的饱和碳氢基团，通过一种蒸汽相过程制备，其特征在于通过将通用公式ROCH2CHR1CONH2的低烷氧基酰胺，其中R是不超过八个碳原子的饱和碳氢基团，R1是氢或不超过八个碳原子的饱和碳氢基团，经过维持在225°C至500°C温度下的磷酸锂或二氧化钛作为催化剂。如有需要，催化剂可以负载在硅等载体上，而含有催化剂的转换器可以是不锈钢管的长度，其进口端可以填充惰性材料，例如具有催化惰性的二氧化硅，用作起始材料的预热器或蒸发器。可以使用稀释剂，例如氮气或低沸点液体的蒸汽，例如水或烷醇。在反应过程中可以存在聚合抑制剂，例如N-苯基-b-萘胺，如果通过蒸馏分离丙烯酰胺，则应该存在抑制剂，例如N,N1-二-(b-萘基)对苯二胺。在示例中：(1)和(2)通过将b-甲氧基丙酰胺、甲醇和N-苯基-b-萘胺在具有催化惰性的硅胶上预热后，经过加热的磷酸锂，冷却和凝结产物，并在加入二-b-萘基对苯二胺后在减压下分馏获得丙烯酰胺；(3)类似地使用b-甲氧基异丁酰胺获得丙烯酰胺；(4)使用二氧化钛作为催化剂从b-甲氧基丙酰胺中获得丙烯酰胺。用于制备丙烯酰胺及其同系物的过程包括氨和丙烯酰氯或b-氯丙酰氯以及b-丙内酯或b-丙内酯脱氯化反应，以及从b-二甲基氨基N-(邻甲苯基)丙酰胺裂解二甲胺形成N-(邻甲苯基)丙烯酰胺和N,N-二甲基-a-乙酰氧基丙酰胺的热解以得到二甲基丙烯酰胺。 -
Method for converting amides to nitriles and nitriles to amides申请人：The Standard Oil Company公开号：US05449808A1公开（公告）日：1995-09-12A process which comprises contacting and catalytically reacting under essentially anhydrous conditions in the liquid phase an amide with a nitrile according to the equation: RCONH.sub.2 +R.sup.1 CN.revreaction.RCN+R.sup.1 CONH.sub.2 where R and R.sup.1 are not the same and are each selected from (1) H, hydrocarbyl, a hydrocarbyl group substituted with: one or more of F, Cl, Br, I, amido, cyano, formyl, hydrocarbylcarbonyl, hydrocarbyloxy, hydrocarbyloxycarbonyl, hydrocarbylcarbonyloxy and dihydrocarbylamino, and (2) any of group (1) where one or more H atoms are substituted by a deuterium atom,一种过程，包括在液相中基本无水条件下接触和催化反应酰胺和腈，反应方程式如下：RCONH.sub.2 +R.sup.1 CN.revreaction.RCN+R.sup.1 CONH.sub.2，其中R和R.sup.1不同，并且分别选自以下内容：(1) H、烃基、一个或多个F、Cl、Br、I、酰胺、氰基、甲酰基、烃基羰基、烃基氧基、烃基氧羰基、烃基羰氧基和二烃基氨基取代的烃基，以及(2) 任何一个属于组(1)的，其中一个或多个H原子被氘原子取代。
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TYROSINE KINASE 2 INHIBITORS AND USES THEREOF申请人：BIOGEN MA INC.公开号：WO2023250064A1公开（公告）日：2023-12-28Provided are compounds of the Formula (I): or pharmaceutically acceptable salts thereof, which are useful for the inhibition of TYK2 and in the treatment of a variety of TYK2 mediated conditions or diseases.所提供的是式 (I) 的化合物：或其药学上可接受的盐，可用于抑制 TYK2 和治疗各种 TYK2 介导的病症或疾病。
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