N-methylaminocarbonyl-N-methylcarbamoyl chloride | 13188-08-4

• 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: N-methylaminocarbonyl-N-methylcarbamoyl chloride
• 英文别名: 2,4-dimethylallophanoyl chloride；N-methylcarbamoyl-N-methylcarbamoyl chloride；N,N'-dimethylureidocarbonyl chloride；N,N'-dimethyl-N-(chloroformyl)urea；dimethylureidocarbonyl chloride；2,4-Dimethyl-allophanoylchlorid；N-methyl-N-(methylcarbamoyl)carbamoyl chloride
• CAS: 13188-08-4
• 化学式: C₄H₇ClN₂O₂
• 分子量: 150.565
• InChiKey: JIQBLONORFFMKH-UHFFFAOYSA-N

物化性质

• 熔点：
  36 °C
• 密度：
  1.295±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：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-methylaminocarbonyl-N-methylcarbamoyl chloride 在 盐酸 、 氯化锑(V) 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Beierl,D.; Schmidt,A., Chemische Berichte, 1973, vol. 106, p. 1637 - 1642

  摘要：

  DOI：
• 作为产物：
  描述：

  光气 、 1,3-二甲基脲 以 二氯甲烷 、 甲苯 为溶剂， 以55%的产率得到N-methylaminocarbonyl-N-methylcarbamoyl chloride
  参考文献：
  名称：

  Studies of methyl isocyanate chemistry in the Bhopal incident

  摘要：

  DOI：

  10.1021/jo00370a007

文献信息

• Allophanoylpiperazine compound and analgesic composition containing same
  申请人：Taiho Pharmaceutical Company Limited

  公开号：US04666911A1

  公开（公告）日：1987-05-19

  An analgesic compositon containing as active ingredient an allophanoylpiperazine compound represented by the general formula ##STR1## wherein R.sup.1 represents a lower alkyl group or phenyl group; R.sup.2 and R.sup.3 each represents a hydrogen atom or a lower alkyl group; and R.sup.4 represents a phenyl group or a substituted phenyl group having as substituent a halogen atom or methyl, trifluoromethyl, hydroxyl, methoxy, methylenedioxy, nitro, or carboxyl group; pyridyl group, pyrimidyl group, thiazolyl group, benzyl group, cinnamyl group, cyclohexyl group, a lower alkyl group, a substituted lower alkyl group having chlorine atom or hydroxyl group as substituent; or a lower alkenyl group.

  一种镇痛组合物，其活性成分为由通式##STR1##所表示的异脲酰哌嗪化合物，其中R.sup.1代表较低的烷基或苯基；R.sup.2和R.sup.3各自代表氢原子或较低的烷基；R.sup.4代表苯基或取代苯基，其取代基为卤原子或甲基、三氟甲基、羟基、甲氧基、亚甲二氧基、硝基或羧基；吡啶基、嘧啶基、噻唑基、苄基、肉桂基、环己基、较低的烷基、取代的较低的烷基，其取代基为氯原子或羟基；或较低的烯基。
• 7-Ureido acetamido substituted cephalosporin antibiotics
  申请人：Eli Lilly and Company

  公开号：US04224442A1

  公开（公告）日：1980-09-23

  Cephalosporin antibiotics of the formula ##STR1## wherein R is ##STR2## and R" is H, C.sub.1 -C.sub.3 alkyl, allyl, propargyl, C.sub.3 -C.sub.6 cycloalkyl, phenyl, benzyl or furfuryl; R' is H or methyl; or R is a cyclic urea group for example, R is ##STR3## R.sub.1 is phenyl, thienyl, or furyl; R.sub.3 is a lower alkyl substituted 1H-tetrazole-5-thio or 1,3,4-thiadiazole-5-thio group and R.sub.4 is hydrogen or an active ester group, e.g., an acetoxymethyl group; are highly active broad spectrum antibiotics especially useful in the treatment of infections attributable to the gram-negative microorganisms.

  头孢菌素抗生素的化学式为##STR1##其中R为##STR2##，R"为H，C.sub.1 -C.sub.3烷基，烯丙基，丙炔基，C.sub.3 -C.sub.6环烷基，苯基，苄基或呋喃基；R'为H或甲基；或者R为环脲基，例如，R为##STR3## R.sub.1为苯基，噻吩基或呋喃基；R.sub.3为较低烷基取代的1H-四唑-5-硫基或1,3,4-噻二唑-5-硫基团，R.sub.4为氢或活性酯基团，例如，乙酰氧甲基基团；这些头孢菌素抗生素是高活性的广谱抗生素，特别适用于治疗由革兰阴性微生物引起的感染。
• Cephalosporin compounds
  申请人：Eli Lilly and Company

  公开号：US04329454A1

  公开（公告）日：1982-05-11

  Compounds of the formula ##STR1## in which R is hydrogen or an acyl group, R.sub.1 is hydrogen or lower alkyl, and R.sub.2 is hydrogen, an alkali metal cation, or a readily removable ester forming group, are active antibiotics or intermediates thereto.

  公式为##STR1##的化合物，其中R为氢或酰基，R.sub.1为氢或低碳烷基，R.sub.2为氢、碱金属阳离子或易于去除的酯基团，是活性抗生素或其中间体。
• 7-Substituted-ureido-3-carbamoyloxymethyl cephalosporin antibiotics
  申请人：Eli Lilly and Company

  公开号：US04061630A1

  公开（公告）日：1977-12-06

  Cephalosporin compounds represented by the formula ##STR1## wherein R is an acylamino group ##STR2## and R' is for example phenyl or furyl, R" is H or CH.sub.3 ; or R is a substituted ureido group ##STR3## and R" is H or CH.sub.3, R"' is e.g., C.sub.1 -C.sub.3 alkyl; or R is a cyclic ureido group, e.g., imidazolidine-2-one-1-yl and wherein R.sub.1 is phenyl, substituted phenyl, thienyl, or furyl; are broad spectrum antibiotics exhibiting an expanded spectrum of activity vs. gram-negative microorganisms.

  化合物的头孢菌素代表公式为##STR1##其中R是一个酰胺基团##STR2##，而R'例如是苯基或呋喃基，R"是H或CH.sub.3;或者R是一个取代的尿素基团##STR3##，而R"是H或CH.sub.3，R"'例如是C.sub.1-C.sub.3烷基;或者R是一个环状尿素基团，例如咪唑啉-2-酮-1-基，其中R.sub.1是苯基，取代苯基，噻吩基或呋喃基;是一种广谱抗生素，展示了对革兰氏阴性微生物的扩展活性谱。
• .alpha.-Acylureidocephalosporins and salts and esters thereof
  申请人：Beecham Group Limited

  公开号：US04312982A1

  公开（公告）日：1982-01-26

  Compounds which are clinically important cephalosporins and salts and esters thereof having a wide spectrum of activity against Gram-positive bacteria but especially against Gram-negative bacteria such as Pseudomonas spp. against which commercially available cephalosporins are normally inactive. Preferred compounds of the invention are also active against Gram-negative cephalosporinase-producing organisms such as Enterobacter spp., Serratia spp. and indole-positive Proteus; methods of preparation are described.

  这是一段医学方面的内容，翻译如下： 这些化合物是临床上重要的头孢菌素，它们的盐和酯具有广谱的抗菌活性，对革兰氏阳性菌尤其有效，但对革兰氏阴性菌如假单胞菌等也具有活性，而商业上可获得的头孢菌素通常无法对其产生作用。该发明的首选化合物也对产生头孢菌素酶的革兰氏阴性菌如肠杆菌属、沙雷氏菌属和靛阳性变形菌等具有活性；同时，还描述了制备方法。