乙基甲基氨基甲酸乙酯 | 77333-18-7

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 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
• 中文名称: 乙基甲基氨基甲酸乙酯
• 英文名称: ethyl N-methyl-N-ethylcarbaminate
• 英文别名: ethyl-methyl-carbamic acid ethyl ester；Aethyl-methyl-carbamidsaeure-aethylester；Carbamic acid, ethylmethyl-, ethyl ester；ethyl N-ethyl-N-methylcarbamate
• CAS: 77333-18-7
• 化学式: C₆H₁₃NO₂
• 分子量: 131.175
• InChiKey: XLPFLCTZNRMTQB-UHFFFAOYSA-N

物化性质

• 沸点：
  151.3±7.0 °C(Predicted)
• 密度：
  0.948±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P201,P202,P264,P270,P281,P301+P312,P308+P313,P330,P405,P501
• 危险性描述：
  H302,H351

反应信息

• 作为反应物：
  描述：

  乙基甲基氨基甲酸乙酯 、 氯化钍 以 苯 为溶剂， 生成 thorium tetrachloride * 3 N-methyl-N-ethylcarbamic acid ethyl ester
  参考文献：
  名称：

  Zarli, B.; Faraglia, G.; Sindellari, L., Transition Metal Chemistry, 1981, vol. 6, p. 17 - 19

  摘要：

  DOI：

文献信息

• [EN] PRODRUGS OF MYELOPEROXIDASE INHIBITORS<br/>[FR] PROMÉDICAMENTS D'INHIBITEURS DE LA MYÉLOPEROXYDASE
  申请人：BIOHAVEN THERAPEUTICS LTD

  公开号：WO2021072140A1

  公开（公告）日：2021-04-15

  Disclosed are prodrugs of myeloperoxidase (MPO) inhibitors, methods of treating MPO related disorders, e.g., multiple system atrophy, amyotrophic lateral sclerosis, and Huntingtons disease, and methods of neuroprotection, which include administering to a patient in need thereof the prodrugs, pharmaceutical compositions including the prodrugs, and kits including the pharmaceutical compositions and instructions for use.

  揭示了髓过氧化物酶（MPO）抑制剂的前药，治疗MPO相关疾病的方法，例如多系统萎缩症、肌萎缩侧索硬化和亨廷顿病，以及神经保护方法，包括向需要的患者施用前药，包括前药的药物组合物，以及包括药物组合物和使用说明的工具包。
• N-substituted ethylcarbamate complexes of thorium(IV) and lanthanum(III) nitrates
  作者：G. Casotto、B. Zarli、G. Faraglia、L. Sindellari

  DOI：10.1016/s0020-1693(00)84892-6

  日期：1984.11

  N-substituted ethylcarbamates form with thorium nitrate the complexes Th(NO3)4·3RHNC(O)OC2H5 (where R = CH3, C2H5, C6H5(CH3)CH) and with lanthanum nitrate the complexes La(NO3)3· 2RR′NC(O)OC2H5·3H2O (where R = CH3, C2H5, C6H5(CH3)CH; R′ = H and R = CH3, C6H5; R′ = C2H5 or R = R′ = CH3). In addition the anhydrous La(NO3)3·3(C2H5)2NC(O)OC2H5 has been isolated. From the IR spectra it is deduced that the

  N-取代的氨基甲酸乙酯与硝酸th形成配合物Th（NO3）4·3RHNC（O）OC2H5（其中R = CH3，C2H5，C6H5（CH3）CH）和硝酸镧与配合物La（NO3）3·2RR'NC （O）OC 2 H 5·3H 2 O（其中R ＝ CH 3，C 2 H 5，C 6 H 5（CH 3）CH； R′＝ H且R ＝ CH 3，C 6 H 5； R′＝ C 2 H 5或R ＝ R′＝ CH 3）。此外，已分离出无水La（NO3）3·3（C2H5）2NC（O）OC2H5。从IR光谱推断出氨基甲酸酯通过羰基氧原子配位金属，并且硝酸根基团充当螯合的配体。报道并讨论了配合物的1 H nmr光谱数据。
• Methods for isolating propargylated aminoindans
  申请人：Frenkel Anton

  公开号：US20070112217A1

  公开（公告）日：2007-05-17

  Disclosed is a process for isolating from a reaction mixture a salt of a mono-propargylated aminoindan having the structure wherein R 1 is H, hydroxyl, alkoxy or wherein Y is O or S; R 2 and R 3 is each, independently, C 1-8 alkyl, C 6-12 aryl, C 6-12 aralkyl, each optionally halo substituted, or hydrogen; where the reaction mixture further comprises a solvent, a primary aminoindan having the structure wherein R 1 is defined as above, and a tertiary aminoindan having the structure the process comprising d) adding an acid to the reaction mixture; e) crystallizing the mono-propargylated aminoindan under conditions suitable for the formation of a crystalline salt of the mono-propargylated aminoindan; and f) recovering the crystalline salt of the mono-propargylated aminoindan, wherein the process is performed without addition of an organic solvent. Also disclosed are the crystalline diastereomeric salts produced by the process and pharmaceutical compositions containing the salts.

  公开了一种从反应混合物中分离出一种单丙炔基氨基间醚盐的方法，其具有以下结构：其中R1为H、羟基、烷氧基或；其中Y为O或S；R2和R3分别独立地为C1-8烷基、C6-12芳基、C6-12芳基烷基，每种均可选择地取代卤素，或氢；其中反应混合物进一步包括溶剂、具有以下结构的初级氨基间醚和具有以下结构的三级氨基间醚；所述方法包括d)向反应混合物中加入酸；e)在适合形成单丙炔基氨基间醚的结晶盐的条件下结晶化单丙炔基氨基间醚；和f)回收单丙炔基氨基间醚的结晶盐，其中该方法在不添加有机溶剂的情况下执行。还公开了该方法产生的晶体对映异构盐以及含有这些盐的药物组合物。
• Modulators of muscarinic receptors
  申请人：Davies Robert

  公开号：US20070213315A1

  公开（公告）日：2007-09-13

  The present invention relates to modulators of muscarinic receptors. The present invention also provides compositions comprising such modulators, and methods therewith for treating muscarinic receptor mediated diseases.

  本发明涉及毒蕈碱受体调节剂。本发明还提供包含此类调节剂的组合物，并使用这些方法治疗毒蕈碱受体介导的疾病。
• Trisubstituted amine compound
  申请人：Nakamura Yoshinori

  公开号：US20090029994A1

  公开（公告）日：2009-01-29

  The present invention relates to a compound of the general formula (1): wherein, Y is a methylene group, and the like; A is an optionally substituted heterocyclic group, and the like; B is an optionally substituted phenyl group, and the like; R 1 is an optionally substituted alkyl group, and the like; and R 2 is an optionally substituted amino group, and the like; or a pharmaceutically acceptable derivative thereof, which has an inhibitory activity against cholesteryl ester transfer protein (CETP), thereby being useful for prophylaxis and/or treatment of arteriosclerotic diseases, hyperlipemia or dyslipidemia, and the like.

  本发明涉及一般式(1)的化合物，其中Y是亚甲基基团等；A是可选择取代的杂环基团等；B是可选择取代的苯基团等；R1是可选择取代的烷基团等；R2是可选择取代的氨基团等；或其药学上可接受的衍生物，该化合物具有胆固醇酯转移蛋白（CETP）的抑制活性，因此可用于动脉粥样硬化疾病、高脂血症或异常脂质血症的预防和/或治疗等。