methyl (N-methyl-N-trimethylacetylamino)-acetate | 66127-98-8

• 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: methyl (N-methyl-N-trimethylacetylamino)-acetate
• 英文别名: methyl 2-(N-methylpivalamido)acetate；Methyl 2-[2,2-dimethylpropanoyl(methyl)amino]acetate
• CAS: 66127-98-8
• 化学式: C₉H₁₇NO₃
• 分子量: 187.239
• InChiKey: CNDBPIILBQZRMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  二硫化碳 、 methyl (N-methyl-N-trimethylacetylamino)-acetate 、 1,3-二溴丙烷 在 sodium hydride 作用下， 生成 methyl 2-(1,3-dithian-2-ylidene)-(N-methyl-N-trimethylacetylamino)acetate
  参考文献：
  名称：

  SYNTHESIS OF ACYLAMIDO KETENE DITHIOACETALS AND 5-OXO-4,5-DIHYDROBENZO[F]-1,4-THIAZEPINE-DERIVATIVES BY DITHIOCARBOXYLATION OF α-AZA-C-NUCLEOPHILES

  摘要：

  N-acceptor methyl substituted 2,2,N-trimethyl-propionamides (1 acc-group = p-MeOC6H4CO-, 2 acc-group = COOMe) afford in the procedure of dithiocarboxylation 3,3-[bis(alkylthio)]-prop-2-ene-1-ones 4a-c and methyl 3,3-[bis(alkylthio)]-acrylates 5a-c, respectively. 2-Chloro- or 2,4-dichloro-N-cyanomethyl-N-methyl-benzamide 3a,b form in the reaction with carbon disulfide at lower temperature 3,3-bis(methylthio)-acrylonitriles 7a,b whereas 2-alkylthio-4-methyl-5-oxo-4,5-dihydrobenzo[f]-1,4-thiazepine-3-carbonitriles 8a-c are obtained at higher temperatures.

  DOI：

  10.1080/10426509708043496
• 作为产物：
  描述：

  肌氨酸甲酯盐酸盐 、 三甲基乙酰氯 在 sodium hydroxide 作用下， 以 甲苯 为溶剂， 反应 1.0h， 以86%的产率得到methyl (N-methyl-N-trimethylacetylamino)-acetate
  参考文献：
  名称：

  SYNTHESIS OF ACYLAMIDO KETENE DITHIOACETALS AND 5-OXO-4,5-DIHYDROBENZO[F]-1,4-THIAZEPINE-DERIVATIVES BY DITHIOCARBOXYLATION OF α-AZA-C-NUCLEOPHILES

  摘要：

  N-acceptor methyl substituted 2,2,N-trimethyl-propionamides (1 acc-group = p-MeOC6H4CO-, 2 acc-group = COOMe) afford in the procedure of dithiocarboxylation 3,3-[bis(alkylthio)]-prop-2-ene-1-ones 4a-c and methyl 3,3-[bis(alkylthio)]-acrylates 5a-c, respectively. 2-Chloro- or 2,4-dichloro-N-cyanomethyl-N-methyl-benzamide 3a,b form in the reaction with carbon disulfide at lower temperature 3,3-bis(methylthio)-acrylonitriles 7a,b whereas 2-alkylthio-4-methyl-5-oxo-4,5-dihydrobenzo[f]-1,4-thiazepine-3-carbonitriles 8a-c are obtained at higher temperatures.

  DOI：

  10.1080/10426509708043496

文献信息

• 3-CARBAMOYL-2-PYRIDONE DERIVATIVES
  申请人：ISHIZUKA Natsuki

  公开号：US20120208813A1

  公开（公告）日：2012-08-16

  The present invention provides compounds having an agonistic activity to the cannabinoid receptor, which is represented by the formula (I): wherein R 1 , R 2 , R 3 , R 4 , and G are defined as herein, a pharmaceutically acceptable salt or a solvate thereof, and pharmaceutical compositions, atopic dermatitis treating agents, and anti-pruritus agents, especially anti-pruritus agents for oral used and for external application, which each contains the said compound as an active ingredient.

  本发明提供了具有激动大麻素受体的活性的化合物，该受体由公式（I）表示：其中R1、R2、R3、R4和G如本文所定义，其药学上可接受的盐或溶剂，以及制备该化合物为活性成分的药物组合物、治疗特应性皮炎的药剂和抗瘙痒剂，尤其是用于口服和外用的抗瘙痒剂。
• 3-CARBAMOYL-2-PYRIDONE DERIVATIVE
  申请人：SHIONOGI & CO., LTD.

  公开号：EP1806342A1

  公开（公告）日：2007-07-11

  The present invention provides compounds having an agonistic activity to the cannabinoid receptor, which is represented by the formula (I): wherein R1 is optionally substituted C1-C8 alkyl and the like; R2 is C1-C6 alkyl; R3 is C1-C6 alkyl and the like; or R2 and R3 taken together with may form an optionally substituted 5 to 10 membered non-aromatic carbon ring; R4 is hydrogen and the like; G is a group selected from the groups shown by the formula an the like: wherein R5 is hydrogen and the like; X1 is a single bond and the like; X2 is optionally substituted C1-C8 alkylene that may be replaced by one or two groups of -O-, or -N(R6)-, wherein R6 is hydrogen and the like, and the like; X3 is a single bond and the like; a pharmaceutically acceptable salt or a solvate thereof, and pharmaceutical compositions, atopic dermatitis treating agents, and anti-pruritus agents, especially anti-pruritus agents for oral used and for external application, which each contains the said compound as an active ingredient.

  本发明提供了对大麻素受体具有激动活性的化合物，该受体由式 (I) 表示： 其中 R1 是任选取代的 C1-C8 烷基及类似物；R2 是 C1-C6 烷基；R3 是 C1-C6 烷基及类似物；或 R2 和 R3 一起可形成任选取代的 5 至 10 个成员的非芳香族碳环；R4 是氢及类似物；G 是选自式所示基团及类似物的基团： 其中 R5 是氢和类似物；X1 是单键和类似物；X2 是可被一个或两个基团-O-或-N(R6)-取代的任选取代的 C1-C8 亚烷基，其中 R6 是氢和类似物；X3 是单键和类似物； 其药学上可接受的盐或溶液，以及药物组合物、特应性皮炎治疗剂和止痒剂，尤其是口服和外用的止痒剂，其中每一种都含有上述化合物作为活性成分。
• COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING FIBROSIS
  申请人：YALE UNIVERSITY

  公开号：US20220098214A1

  公开（公告）日：2022-03-31

  The present invention provides compounds and methods for treating MKP5 modulated disease. In certain embodiments, the MKP5 modulated disease is a fibrotic disease.
• US8178681B2
  申请人：——

  公开号：US8178681B2

  公开（公告）日：2012-05-15
• SYNTHESIS OF ACYLAMIDO KETENE DITHIOACETALS AND 5-OXO-4,5-DIHYDROBENZO[F]-1,4-THIAZEPINE-DERIVATIVES BY DITHIOCARBOXYLATION OF α-AZA-C-NUCLEOPHILES
  作者：Wolfgang Dölling

  DOI：10.1080/10426509708043496

  日期：1997.3.1

  N-acceptor methyl substituted 2,2,N-trimethyl-propionamides (1 acc-group = p-MeOC6H4CO-, 2 acc-group = COOMe) afford in the procedure of dithiocarboxylation 3,3-[bis(alkylthio)]-prop-2-ene-1-ones 4a-c and methyl 3,3-[bis(alkylthio)]-acrylates 5a-c, respectively. 2-Chloro- or 2,4-dichloro-N-cyanomethyl-N-methyl-benzamide 3a,b form in the reaction with carbon disulfide at lower temperature 3,3-bis(methylthio)-acrylonitriles 7a,b whereas 2-alkylthio-4-methyl-5-oxo-4,5-dihydrobenzo[f]-1,4-thiazepine-3-carbonitriles 8a-c are obtained at higher temperatures.