1,4,7,10-四氮环十二烷四盐酸盐 | 10045-25-7

• 物质功能分类: 化学试剂 - 有机试剂 - 冠醚
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 1,4,7,10-四氮环十二烷四盐酸盐
• 中文别名: 轮环藤宁盐酸盐；Gm-D盐酸盐；1,4,7,1-四氮环十二烷四盐酸盐
• 英文名称: 1,4,7,10-Tetraazacyclododecane tetrahydrochloride
• 英文别名: 1,4,7,10-tetrazacyclododecane;tetrahydrochloride
• CAS: 10045-25-7
• 化学式: C8H24Cl4N4
• 分子量: 318.1
• InChiKey: SBWLCGZEBQGYRP-UHFFFAOYSA-N

物化性质

• 熔点：
  297-300 °C

计算性质

• 辛醇/水分配系数(LogP)：
  -17.73
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  66.4
• 氢给体数：
  4
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT, MOISTURE SENSITIVE
• 危险等级：
  9
• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 海关编码：
  2933990090
• RTECS号：
  XA5253000
• 危险品运输编号：
  UN 3077
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  1,4,7,10-四氮环十二烷四盐酸盐 在 氨 、 氯仿 、 乙醚 作用下， 以 氯仿 为溶剂， 反应 17.0h， 以to give a combined yield of 35.1 g (97.5%)的产率得到轮环藤宁
  参考文献：
  名称：

  Macrocyclic polyaza dichelates linked through ring nitrogens via an

  摘要：

  本发明涉及二螯合剂，特别是含有两个大环螯合基团的化合物，这些基团通过含有酯或酰胺键的桥连接，特别是公式Vb的化合物：##STR1## （其中每个X可能相同或不同，为NZ，O或S，至少两个X为NZ；每个Z为R.sup.1基团或CR.sup.1.sub.2Y基团，每个大环上至少一个Z，最好是2或3个Z为CR.sup.1.sub.2Y基团；每个Y为CO.sub.2H，PO.sub.3H，SO.sub.3H，CONR.sup.1.sub.2，CON（OR.sup.1）R.sup.1，CNS或CONR.sup.1NR.sup.1.sub.2基团，最好是COOH；m为0或1或2，最好为1；每个n为2或3，最好为2；q为1或2，最好为1；每个R.sup.1可能相同或不同，为氢原子或烷基基团，可选地被一个或多个羟基和/或烷氧基取代；D为桥连基团，其分子量小于1000，最好小于500，通过至少一个酰胺或酯键连接两个大环环）。以及其盐和金属螯合物。

  公开号：

  US05650133A1

文献信息

• Method of preparing and uses of cucurbituril devices
  申请人：Pohang University of Science and Technology

  公开号：US20020133003A1

  公开（公告）日：2002-09-19

  Cucurbituril derivatives, their prepartion methods and uses. The cucurbituril derivatives have the formula (1) 1 where X is O, S or NH; R 2 and R 2 are independently selected from the group consisting of hydrogen, alkyl groups of 1 to 30 carbon atoms, alkenyl groups of 1 to 30 carbon atoms, alkynyl groups of 1 to 30 carbon atoms, alkylthio groups of 1 to 30 carbon atoms, alkylcarboxyl groups of 1 to 30 carbon atoms, hydroxyalkyl groups of 1 to 30 carbon atoms, alkylsilyl groups of 1 to 30 carbon atoms, alkoxy groups of 1 to 30 carbon atoms, haloalkyl groups of 1 to 30 carbon atoms, nitro group, alkylamine groups of 1 to 30 carbon atoms, amine group, aminoalkyl groups of 1 to 30 carbon atoms, unsubstituted cycloalkyl groups of 5 to 30 carbon atoms, cycloalkyl groups of 4 to 30 carbon atoms with hetero atoms, unsubstituted aryl groups of 6 to 30 carbon atoms, and aryl groups of 6 to 30 carbon atoms with hetero atoms; and n is an integer from 4 to 20, wherein the cucurbituril derivatives having the formula (1), where n=6, R 1 ═H, R 2 ═H and X═O, and n=5, R 1 ═CH 3 , R 2 ═H and X═O, are excluded. The cucurbituril derivatives are easily prepared as a mixture by one of the three new methods, and each cucurbituril derivative can be separated from the mixture by fractional crystallization. The cucurbituril derivatives having the formula (1) or their mixtures are very useful in removing dyes and heavy metal ions dissolved in water or waste water.

  Cucurbituril衍生物，其制备方法和用途。Cucurbituril衍生物的化学式为（1）其中X为O、S或NH；R1和R2独立选择自氢、1至30个碳原子的烷基、1至30个碳原子的烯基、1至30个碳原子的炔基、1至30个碳原子的烷硫基、1至30个碳原子的烷羧基、1至30个碳原子的羟基烷基、1至30个碳原子的烷基硅基、1至30个碳原子的烷氧基、1至30个碳原子的卤代烷基、硝基、1至30个碳原子的烷基胺基、氨基、1至30个碳原子的氨基烷基、5至30个碳原子的未取代环烷基、带杂原子的4至30个碳原子的环烷基、6至30个碳原子的未取代芳基和带杂原子的6至30个碳原子的芳基；n为4至20的整数，其中化学式（1）中n＝6，R1＝H，R2＝H和X＝O，以及n＝5，R1＝CH3，R2＝H和X＝O的Cucurbituril衍生物被排除在外。Cucurbituril衍生物可以通过三种新方法之一轻松制备为混合物，并且可以通过分级结晶从混合物中分离出每种Cucurbituril衍生物。具有化学式（1）或其混合物的Cucurbituril衍生物在去除水或废水中溶解的染料和重金属离子方面非常有用。
• Cucurbituril derivatives, their preparation method and uses
  申请人：Pohang University of Science and Technology

  公开号：US20040039195A1

  公开（公告）日：2004-02-26

  Cucurbituril derivatives, their prepartion methods and uses. The cucurbituril derivatives have the formula (1) where X is O, S or NH; R 1 and R 2 are independently selected from the group consisting of hydrogen, alkyl groups of 1 to 30 carbon atoms, alkenyl groups of 1 to 30 carbon atoms, alkynyl groups of 1 to 30 carbon atoms, alkylthio groups of 1 to 30 carbon atoms, alkylcarboxyl groups of 1 to 30 carbon atoms, hydroxyalkyl groups of 1 to 30 carbon atoms, alkylsilyl groups of 1 to 30 carbon atoms, alkoxy groups of 1 to 30 carbon atoms, haloalkyl groups of 1 to 30 carbon atoms, nitro group, alkylamine groups of 1 to 30 carbon atoms, amine group, aminoalkyl groups of 1 to 30 carbon atoms, unsubstituted cycloalkyl groups of 5 to 30 carbon atoms, cycloalkyl groups of 4 to 30 carbon atoms with hetero atoms, unsubstituted aryl groups of 6 to 30 carbon atoms, and aryl groups of 6 to 30 carbon atoms with hetero atoms; and n is an integer from 4 to 20, wherein the cucurbituril derivatives having the formula (1), where n=6, R 1 ═H, R 2 ═H and X═O, and n=5, R 1 ═CH 3 , R 2 ═H and X═O, are excluded. The cucurbituril derivatives are easily prepared as a mixture by one of the three new methods, and each cucurbituril derivative can be separated from the mixture by fractional crystallization. The cucurbituril derivatives having the formula (1) or their mixtures are very useful in removing dyes and heavy metal ions dissolved in water or waste water.

  Cucurbituril衍生物，其制备方法和用途。Cucurbituril衍生物的化学式为（1），其中X为O、S或NH; R1和R2独立地选自羟基、1到30个碳原子的烷基、1到30个碳原子的烯基、1到30个碳原子的炔基、1到30个碳原子的烷硫基、1到30个碳原子的烷基羧基、1到30个碳原子的羟基烷基、1到30个碳原子的烷基硅基、1到30个碳原子的烷氧基、1到30个碳原子的卤代烷基、硝基、1到30个碳原子的烷基胺基、胺基、1到30个碳原子的氨基烷基、未取代的5到30个碳原子的环烷基、带有杂原子的4到30个碳原子的环烷基、未取代的6到30个碳原子的芳基和带有杂原子的6到30个碳原子的芳基; n是4到20的整数，其中化学式（1）的Cucurbituril衍生物，其中n=6，R1=H，R2=H且X=O，以及n=5，R1=CH3，R2=H且X=O，被排除在外。Cucurbituril衍生物可以通过三种新方法之一轻松制备成混合物，并且可以通过分馏结晶从混合物中分离出每个Cucurbituril衍生物。化学式（1）的Cucurbituril衍生物或其混合物在去除水或废水中溶解的染料和重金属离子方面非常有用。
• Uses of cucurbituril devices
  申请人：Pohang University of Science and Technology Foundation

  公开号：US07160466B2

  公开（公告）日：2007-01-09

  Uses of cucurbituril derivatives are disclosed. The cucurbituril derivatives have the formula (1) where X is O, S or NH; R1 and R2 are independently selected from the group consisting of hydrogen, alkyl groups of 1 to 30 carbon atoms, alkenyl groups of 1 to 30 carbon atoms, alkynyl groups of 1 to 30 carbon atoms, alkylthio groups of 1 to 30 carbon atoms, alkylcarboxyl groups of 1 to 30 carbon atoms, hydroxyalkyl groups of 1 to 30 carbon atoms, alkylsilyl groups of 1 to 30 carbon atoms, alkoxy groups of 1 to 30 carbon atoms, haloalkyl groups of 1 to 30 carbon atoms, nitro group, alkylamine groups of 1 to 30 carbon atoms, amine group, aminoalkyl groups of 1 to 30 carbon atoms, unsubstituted cycloalkyl groups of 5 to 30 carbon atoms, cycloalkyl groups of 4 to 30 carbon atoms with hetero atoms, unsubstituted aryl groups of 6 to 30 carbon atoms, and aryl groups of 6 to 30 carbon atoms with hetero atoms; and n is an integer from 4 to 20 , wherein the cucurbituril derivatives having the formula (1), where n=6 , R1=H, R2=H and X=O, and n=5 , R1=CH3, R2=H and X=O, are excluded. The cucurbituril derivatives are easily prepared as a mixture by one of the three new methods, and each cucurbituril derivative can be separated from the mixture by fractional crystallization. The cucurbituril derivatives having the formula (1) or their mixtures are very useful in removing dyes and heavy metal ions dissolved in water or waste water.

  揭示了Cucurbituril衍生物的用途。Cucurbituril衍生物具有公式（1），其中X为O，S或NH; R1和R2分别从以下组中独立选择：氢，1至30个碳原子的烷基，1至30个碳原子的烯基，1至30个碳原子的炔基，1至30个碳原子的烷硫基，1至30个碳原子的烷羧基，1至30个碳原子的羟基烷基，1至30个碳原子的烷基硅基，1至30个碳原子的烷氧基，1至30个碳原子的卤代烷基，硝基，1至30个碳原子的烷基胺基，胺基，1至30个碳原子的氨基烷基，5至30个碳原子的未取代环烷基，4至30个碳原子的带有杂原子的环烷基，6至30个碳原子的未取代芳基，6至30个碳原子的带有杂原子的芳基; n为4至20的整数，其中不包括具有公式（1）的Cucurbituril衍生物，其中n = 6，R1 = H，R2 = H和X = O，以及n = 5，R1 = CH3，R2 = H和X = O。Cucurbituril衍生物可以通过三种新方法之一轻松制备成混合物，并且每种Cucurbituril衍生物可以通过分馏结晶从混合物中分离出来。具有公式（1）或其混合物的Cucurbituril衍生物在去除水或废水中溶解的染料和重金属离子方面非常有用。
• Dichelants
  申请人：Nycomed Salutar, Inc.

  公开号：US05972307A1

  公开（公告）日：1999-10-26

  This invention relates to dichelants, in particular compounds having two macrocyclic chelant groups linked by a bridge containing an ester or amide bond, especially compounds of formula Vb ##STR1## (wherein each X which may be the same or different is NZ, O or S, at least two Xs being NZ; each Z is a group R.sup.1 or a group CR.sup.1.sub.2 Y, at least one Z, and preferably 2 or 3 Zs, on each macrocyclic ring being a group CR.sup.1.sub.2 Y; each Y is a group CO.sub.2 H, PO.sub.3 H, SO.sub.3 H, CONR.sup.1.sub.2, CON(OR.sup.1)R.sup.1, CNS or CONR.sup.1 NR.sup.1.sub.2, preferably COOH; m is 0 or 1 or 2, preferably 1; each n is 2 or 3, preferably 2; q is 1 or 2, preferably 1; each R.sup.1 which may be the same or different is a hydrogen atom or an alkyl group optionally substituted by one or more hydroxy and/or alkoxy groups; and D is a bridging group having a molecular weight of less than 1000, preferably less than 500, joining two macrocyclic rings via at least one amide or ester bond) and salts and metal chelates thereof.

  本发明涉及二螯合剂，特别是具有两个大环螯合基团的化合物，这些基团通过含有酯或酰胺键的桥连接，特别是公式Vb的化合物 ##STR1## （其中每个X可能相同或不同，是NZ、O或S，至少两个X是NZ；每个Z是R.sup.1基团或CR.sup.1.sub.2Y基团，至少一个Z，优选2或3个Z，在每个大环上是CR.sup.1.sub.2Y基团；每个Y是CO.sub.2H、PO.sub.3H、SO.sub.3H、CONR.sup.1.sub.2、CON(OR.sup.1)R.sup.1、CNS或CONR.sup.1 NR.sup.1.sub.2基团，优选是COOH；m为0或1或2，优选为1；每个n为2或3，优选为2；q为1或2，优选为1；每个R.sup.1可能相同或不同，是氢原子或烷基，可选地取代一个或多个羟基和/或烷氧基；D是一个分子量小于1000，优选小于500的桥接基团，通过至少一个酰胺或酯键连接两个大环环）及其盐和金属螯合物。
• Cucurbituril derivatives, their preparation methods and uses
  申请人：Pohang University of Science and Technology Foundation

  公开号：US06365734B1

  公开（公告）日：2002-04-02

  Cucurbituril derivatives, their preparation methods and uses. The cucurbituril derivatives have the formula (1) where X is O, S or NH; R1 and R2 are independently selected from the group consisting of hydrogen, alkyl groups of 1 to 30 carbon atoms, alkenyl groups of 1 to 30 carbon atoms, alkynyl groups of 1 to 30 carbon atoms, alkylthio groups of 1 to 30 carbon atoms, alkylcarboxyl groups of 1 to 30 carbon atoms, hydroxyalkyl groups of 1 to 30 carbon atoms, alkylsilyl groups of 1 to 30 carbon atoms, alkoxy groups of 1 to 30 carbon atoms, haloalkyl groups of 1 to 30 carbon atoms, nitro group, alkylamine groups of 1 to 30 carbon atoms, amine group, aminoalkyl groups of 1 to 30 carbon atoms, unsubstituted cycloalkyl groups of 5 to 30 carbon atoms, cycloalkyl groups of 4 to 30 carbon atoms with hetero atoms, unsubstituted aryl groups of 6 to 30 carbon atoms, and aryl groups of 6 to 30 carbon atoms with hetero atoms; and n is an integer from 4 to 20, wherein the cucurbituril derivatives having the formula (1), where n=6, R1=H, R2=H and X=O, and n=5, R1=CH3, R2=H and X=O, are excluded. The cucurbituril derivatives are easily prepared as a mixture by one of the three new methods, and each cucurbituril derivative can be separated from the mixture by fractional crystallization. The cucurbituril derivatives having the formula (1) or their mixtures are very useful in removing dyes and heavy metal ions dissolved in water or waste water.

  Cucurbituril衍生物，其制备方法和用途。Cucurbituril衍生物具有公式（1），其中X为O，S或NH; R1和R2独立地选择自氢，1至30个碳原子的烷基，1至30个碳原子的烯基，1至30个碳原子的炔基，1至30个碳原子的烷基硫基，1至30个碳原子的烷基羧基，1至30个碳原子的羟基烷基，1至30个碳原子的烷基硅基，1至30个碳原子的烷氧基，1至30个碳原子的卤代烷基，硝基，1至30个碳原子的烷基胺基，胺基，1至30个碳原子的氨基烷基，未取代的5至30个碳原子的环烷基，带有杂原子的4至30个碳原子的环烷基，未取代的6至30个碳原子的芳基和带有杂原子的6至30个碳原子的芳基; n为4至20的整数，其中具有公式（1）的Cucurbituril衍生物，其中n＝6，R1＝H，R2＝H和X＝O，以及n＝5，R1＝CH3，R2＝H和X＝O被排除。 Cucurbituril衍生物可以通过三种新方法之一轻松制备为混合物，并且可以通过分馏结晶将每种Cucurbituril衍生物从混合物中分离出来。具有公式（1）或其混合物的Cucurbituril衍生物在去除水或废水中溶解的染料和重金属离子方面非常有用。