N-butylcarbamate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: N-butylcarbamate
• 化学式: C5H10NO2-
• 分子量: 116.14
• InChiKey: ZZHGIUCYKGFIPV-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  52.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N,N-二甲基乙醇胺 、 乙醚 、 异氰酸正丁酯 、 溴代十二烷 在 2-(Dimethylamino)ethyl butylcarbamate 、 amine 、 乙酸乙酯 作用下， 以 乙酸乙酯 为溶剂， 106.0~115.0 ℃ 、21.33 kPa 条件下， 反应 219.5h， 生成 十二烷基(2-羟基乙基)二甲基铵溴化物 、 N-butylcarbamate
  参考文献：
  名称：

  Pharmaceutical composition containing quaternary ammonium compounds

  摘要：

  季铵羰酸盐，硫代羰酸盐，二硫代氨基甲酸盐和尿素化合物。典型的例子是\x9bC.sub.4 H.sub.9 NHCOO(CH.sub.2).sub.2 N.sup.+ (CH.sub.3).sub.2 C.sub.12 \n' H.sub.25 !Br.sup.- \x9bC.sub.4 H.sub.9 NHCSO(CH.sub.2).sub.2 N.sup.+ (CH.sub.3).sub.2 C.sub.12 \n' H.sub.25 !Br.sup.- \x9bCH.sub.3 NHCSS(CH.sub.2).sub.2 N.sup.+ (CH.sub.3).sub.2 C.sub.12 H.sub.25 \n' !Br.sup.- \x9bC.sub.2 H.sub.5 NHCONH(CH.sub.2).sub.2 N.sup.+ (CH.sub.3).sub.2 C.sub.12 \n' H.sub.25 !Br.sup.-。

  公开号：

  US04097600A1

文献信息

• Pharmaceutical composition containing novel quaternary ammonium compounds
  申请人：Colgate-Palmolive Company

  公开号：US03956479A1

  公开（公告）日：1976-05-11

  Quaternary ammonium carbamate, thiocarbamate, dithiocarbamate and carbamide compounds. Typical examples are [C.sub.4 H.sub.9 NHCOO(CH.sub.2).sub.2 N.sup.+(CH.sub.3).sub.2 C.sub.12 H.sub.25 ]Br.sup.- [C.sub.4 H.sub.9 NHCSO(CH.sub.2).sub.2 N.sup.+(CH.sub.3).sub.2 C.sub.12 H.sub.25 ]Br.sup.- [CH.sub.3 NHCSS(CH.sub.2).sub.2 N.sup.+(CH.sub.3).sub.2 C.sub.12 H.sub.25 ]Br.sup.- [C.sub.2 H.sub.5 NHCONH(CH.sub.2).sub.2 N.sup.+(CH.sub.3).sub.2 C.sub.12 H.sub.25 ]Br.sup.- These compounds are effective against gram positive bacteria and fungi and reduce caries and inhibit formation of oral calculus. The thiocarbamates can be prepared by converting amino alcohols to sodium salts thereof with metallic sodium and reacting isothiocyanates with the sodium salts followed by quaternization. The carbamates can be prepared by reacting isocyanates with amino alcohols followed by quaternization. The dithiocarbamates can be prepared by reacting isothiocyanates with sodium salts of aminoalkanethiols followed by quaternization. The carbimides can be prepared by reacting isocyanates with alkanediamines followed by quaternization.

  季铵羰酸酯、硫代羰酸酯、二硫代羰酸酯和尿素化合物。典型的例子是[C.sub.4 H.sub.9 NHCOO(CH.sub.2).sub.2 N.sup.+(CH.sub.3).sub.2 C.sub.12 H.sub.25 ]Br.sup.- [C.sub.4 H.sub.9 NHCSO(CH.sub.2).sub.2 N.sup.+(CH.sub.3).sub.2 C.sub.12 H.sub.25 ]Br.sup.- [CH.sub.3 NHCSS(CH.sub.2).sub.2 N.sup.+(CH.sub.3).sub.2 C.sub.12 H.sub.25 ]Br.sup.- [C.sub.2 H.sub.5 NHCONH(CH.sub.2).sub.2 N.sup.+(CH.sub.3).sub.2 C.sub.12 H.sub.25 ]Br.sup.- 这些化合物对革兰氏阳性细菌和真菌有效，并减少龋齿和抑制口腔牙石的形成。硫代羰酸酯可通过将氨基醇转化为其钠盐，再用金属钠与异硫氰酸酯反应，最后进行季铵化反应制备。羰酸酯可通过异氰酸酯与氨基醇反应，然后进行季铵化反应制备。二硫代羰酸酯可通过将氨基烷硫醇的钠盐与异硫氰酸酯反应，然后进行季铵化反应制备。卡比酰胺可通过异氰酸酯与脂肪族二胺反应，然后进行季铵化反应制备。
• Pharmaceutical compositions containing quaternary ammonium compounds
  申请人：Colgate-Palmolive Company

  公开号：US04007281A1

  公开（公告）日：1977-02-08

  Quaternary ammonium carbamate, thiocarbamate, dithiocarbamate and carbamide compounds. Typical examples are [C.sub.4 H.sub.9 NHCOO(CH.sub.2).sub.2 N.sup.+(CH.sub.3).sub.2 C.sub.12 H.sub.25 ]Br.sup.- [C.sub.4 H.sub.9 NHOSO(CH 2).sub.2 N.sup.+(CH.sub.3).sub.2 C.sub.12 H.sub.25 ]Br.sup.- [CH.sub.3 NHCSS(CH.sub.2).sub.2 N.sup.+(CH.sub.3).sub.2 C.sub.12 H.sub.25 ]Br.sup.- [C.sub.2 H.sub.5 NHCONH(CH.sub.2).sub.2 N.sup.+(CH.sub.3).sub.2 C.sub.12 H.sub.25 ]Br.sup.-.

  季铵羰酸酯，硫代氨基甲酸酯，二硫代氨基甲酸酯和尿素化合物。典型的例子有[C.sub.4 H.sub.9 NHCOO(CH.sub.2).sub.2 N.sup.+(CH.sub.3).sub.2 C.sub.12 H.sub.25 ]Br.sup.- [C.sub.4 H.sub.9 NHOSO(CH 2).sub.2 N.sup.+(CH.sub.3).sub.2 C.sub.12 H.sub.25 ]Br.sup.- [CH.sub.3 NHCSS(CH.sub.2).sub.2 N.sup.+(CH.sub.3).sub.2 C.sub.12 H.sub.25 ]Br.sup.- [C.sub.2 H.sub.5 NHCONH(CH.sub.2).sub.2 N.sup.+(CH.sub.3).sub.2 C.sub.12 H.sub.25 ]Br.sup.-。
• Quaternary ammonium carbamide compounds
  申请人：Colgate-Palmolive Company

  公开号：US04038303A1

  公开（公告）日：1977-07-26

  Quaternary ammonium carbamate, thiocarbamate, dithiocarbamate and carbamide compounds. Typical examples are [C.sub.4 H.sub.9 NHCOO(CH.sub.2).sub.2 N.sup.+(CH.sub.3).sub.2 C.sub.12 H.sub.25 ]Br.sup.- [C.sub.4 H.sub.9 NHCSO(CH.sub.2).sub.2 N.sup.+(CH.sub.3).sub.2 C.sub.12 H.sub.25 ]Br.sup.- [CH.sub.3 NHCSS(CH.sub.2).sub.2 N.sup.+(CH.sub.3).sub.2 C.sub.12 H.sub.25 ]Br.sup.- [C.sub.2 H.sub.5 NHCONH(CH.sub.2).sub.2 N.sup.+(CH.sub.3).sub.2 C.sub.12 H.sub.25 ]Br.sup.-

  季铵羰酸酯、硫代羰酸酯、二硫代羰酸酯和尿素化合物。典型的例子包括[C.sub.4 H.sub.9 NHCOO(CH.sub.2).sub.2 N.sup.+(CH.sub.3).sub.2 C.sub.12 H.sub.25 ]Br.sup.- [C.sub.4 H.sub.9 NHCSO(CH.sub.2).sub.2 N.sup.+(CH.sub.3).sub.2 C.sub.12 H.sub.25 ]Br.sup.- [CH.sub.3 NHCSS(CH.sub.2).sub.2 N.sup.+(CH.sub.3).sub.2 C.sub.12 H.sub.25 ]Br.sup.- [C.sub.2 H.sub.5 NHCONH(CH.sub.2).sub.2 N.sup.+(CH.sub.3).sub.2 C.sub.12 H.sub.25 ]Br.sup.-
• Quaternary quinuclidinium carbamates and thiocarbamates
  申请人：Colgate-Palmolive Company

  公开号：US04082756A1

  公开（公告）日：1978-04-04

  Quaternary ammonium carbamate, thiocarbamate, dithiocarbamate and carbamide compounds. Typical examples are [C.sub.4 H.sub.9 NHCOO(CH.sub.2).sub.2 N.sup.+ (CH.sub.3).sub.2 C.sub.12 H.sub.25 ]Br.sup.- [C.sub.4 H.sub.9 NHCSO(CH.sub.2).sub.2 N.sup.+ (CH.sub.3).sub.2 C.sub.12 H.sub.25 ]Br.sup.- [CH.sub.3 NHCSS(CH.sub.2).sub.2 N.sup.+ (CH.sub.3).sub.2 C.sub.12 H.sub.25 ]Br.sup.- [C.sub.2 H.sub.5 NHCONH(CH.sub.2).sub.2 N.sup.+ (CH.sub.3).sub.2 C.sub.12 H.sub.25 ]Br.sup.-

  季铵羰酸酯，硫代羰酸酯，二硫代羰酸酯和尿素化合物。典型的例子为[C.sub.4 H.sub.9 NHCOO(CH.sub.2).sub.2 N.sup.+ (CH.sub.3).sub.2 C.sub.12 H.sub.25 ]Br.sup.- [C.sub.4 H.sub.9 NHCSO(CH.sub.2).sub.2 N.sup.+ (CH.sub.3).sub.2 C.sub.12 H.sub.25 ]Br.sup.- [CH.sub.3 NHCSS(CH.sub.2).sub.2 N.sup.+ (CH.sub.3).sub.2 C.sub.12 H.sub.25 ]Br.sup.- [C.sub.2 H.sub.5 NHCONH(CH.sub.2).sub.2 N.sup.+ (CH.sub.3).sub.2 C.sub.12 H.sub.25 ]Br.sup.-。