1,1-bis(aminomethyl)cyclohexane | 4441-55-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,1-bis(aminomethyl)cyclohexane
• 英文别名: (1-(aminomethyl)cyclohexyl)methanamine；cyclohexane-1,1-dimethaneamine；bis (aminomethyl)-cyclohexane；3-bis(aminomethyl)cyclohexane；cyclohexane-1,1-bis(methylamine)；1,1-Bis-aminomethyl-cyclohexan；1,1-di(aminomethyl)cyclohexane；1,1-cyclohexanedimethaneamine；4-bis(aminomethyl)cyclohexane；C-(1-aminomethyl-cyclohexyl)-methylamine；[1-(Aminomethyl)cyclohexyl]methanamine
• CAS: 4441-55-8
• 化学式: C₈H₁₈N₂
• 分子量: 142.244
• InChiKey: XZAHJRZBUWYCBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  52
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,1-bis(aminomethyl)cyclohexane 在 吡啶 、 sodium hypochlorite 、 双氧水 作用下， 以 甲醇 、 水 为溶剂， 生成 N-[(2,3-diaza-spiro[4.5]dec-3-en-2-yl)-methylsulfanyl-methylidene]-3-chlorobenzenesulfonamide
  参考文献：
  名称：

  N′-(Arylsulfonyl)pyrazoline-1-carboxamidines as Novel, Neutral 5-Hydroxytryptamine 6 Receptor (5-HT₆R) Antagonists with Unique Structural Features

  摘要：

  The 5-HT6 receptor (5-HT6R) has been in the spotlight for several years regarding CNS-related diseases. We set out to discover novel, neutral 5-HT6R antagonists to improve off-target selectivity compared to basic amine-containing scaffolds dominating the field. High-throughput screening identified the N'-(sulfonyl)pyrazoline-1-carboxamidine scaffold as a promising neutral core for starting hit-to-lead. Medicinal chemistry, molecular modeling, small molecule NMR and X-ray crystallography were subsequently applied to optimize the leads into antagonists (compounds 1-49) displaying high 5-HT6R affinity with optimal off-target selectivity. Unique structural features include a pseudoaromatic system and an internal hydrogen bond freezing the bioactive conformation. While physicochemical properties and CNS availability were generally favorable, significant efforts had to be made to improve metabolic stability. The optimized structure 42 is an extremely selective, hERG-free, high-affinity 5-HT6R antagonist showing good human in vitro metabolic stability. Rat pharrnacokinetic data were sufficiently good to enable further in vivo profiling.

  DOI：

  10.1021/jm200466r
• 作为产物：
  描述：

  1-硝甲基环己醇 在 甲醇 、 镍 、 二乙胺 作用下， 生成 1,1-bis(aminomethyl)cyclohexane
  参考文献：
  名称：

  Lambert; Lowe, Journal of the Chemical Society, 1947, p. 1518

  摘要：

  DOI：

文献信息

• [EN] PROCESS FOR THE MANUFACTURING OF A POLYMER WITH URETHANE GROUPS<br/>[FR] PROCÉDÉ DE FABRICATION D'UN POLYMÈRE AYANT DES GROUPES URÉTHANNE
  申请人：BASF SE

  公开号：WO2019034473A1

  公开（公告）日：2019-02-21

  Process for the manufacturing of a polymer with urethane groups, wherein in a first alternative a compound A) with at least two five-membered cyclic monothiocarbonate groups and a compound B) with at least two amino groups, selected from primary or secondary amino groups and optionally a compound C) with at least one functional group that reacts with a group -SH are reacted or wherein in a second alternative a compound A) with at least two five-membered cyclic monothiocarbonate groups or a mixture of a compound A) with a compound A1)with one five-membered cyclic monothiocarbonate group and a compound B) with at least two amino groups, selected from primary or secondary amino groups or a compound B1) with one amino group selected from primary or secondary amino groups or mixtures of compounds B) and B1) and a compound C) with at least two functional groups that react with a group -SH or in case of a carbon-carbon triple bond as functional group that react with a group -SH, a compound C) with at least one carbon-carbon triple bond. are reacted.

  制造含有尿烷基团的聚合物的过程，其中，在第一种替代方案中，至少具有两个五元环状单硫代碳酸酯基团的化合物A)与至少具有两个氨基的化合物B)反应，这些氨基选自伯氨基或仲氨基，以及可选的至少含有一个与-SH基团反应的功能性基团的化合物C)；或者在第二种替代方案中，至少具有两个五元环状单硫代碳酸酯基团的化合物A)或化合物A)与具有一个五元环状单硫代碳酸酯基团的化合物A1)的混合物与至少具有两个氨基的化合物B)反应，这些氨基选自伯氨基或仲氨基，或具有一个氨基的化合物B1)，该氨基选自伯氨基或仲氨基，或化合物B)和B1)的混合物，以及至少具有两个与-SH基团反应的功能性基团的化合物C)，或当功能性基团为碳-碳三键时，至少具有一个碳-碳三键的化合物C)。
• [EN] PROCESS FOR THE MANUFACTURING OF A POLYMER WITH URETHANE GROUPS<br/>[FR] PROCÉDÉ DE PRODUCTION D'UN POLYMÈRE PRÉSENTANT DES GROUPES URÉTHANE
  申请人：BASF SE

  公开号：WO2019034470A1

  公开（公告）日：2019-02-21

  Object of the invention is a process for the manufacturing of a polymer with urethane groups, wherein in a first alternative A)a five-membered cyclic monothiocarbonate B)a compound with at least two amino groups, selected from primary or secondary amino groups, and C)a compound which at least two functional groups that react with a group -SH or, in case of a carbon-carbon triple bond as functional group that react with a group -SH, a compound with at least one carbon-carbon triple bond are reacted or wherein in a second alternative A)a five-membered cyclic monothiocarbonate and D)a compound with at least one primary or secondary amino group and at least one functional group that reacts with a group -SH.

  本发明的对象是制造带有脲烷基团聚合物的方法，其中在第一种替代方案中，A)一个五元环状的单硫代碳酸酯，B)至少有两个氨基团的化合物，选自伯氨基团或仲氨基团，以及C)至少有两个功能团与-SH团反应的化合物，或者在碳碳三键作为功能团与-SH团反应的情况下，至少有一个碳碳三键的化合物；或者在第二种替代方案中，A)一个五元环状的单硫代碳酸酯，D)至少有一个伯氨基团或仲氨基团以及至少有一个与-SH团反应的功能团的化合物。
• [EN] PREPARATION OF A CURED POLYMER COMPRISING URETHANE GROUPS AND SILICON ATOMS<br/>[FR] PRÉPARATION D'UN POLYMÈRE DURCI COMPRENANT DES GROUPES URÉTHANE ET DES ATOMES DE SILICIUM
  申请人：BASF SE

  公开号：WO2020161281A1

  公开（公告）日：2020-08-13

  Provided is a process for the preparation of a cross-linked polymer comprising urethane groups and silicon atoms, wherein a) a compound A) with a five-membered cyclic monothiocarbonate group and a compound B) with an amino group, selected from primary or secondary amino groups or blocked amino groups, and optionally a compound C) with at least one functional group that reacts with a group -SH are used as starting materials, whereby one of said compounds comprises a silicon- functional group, and wherein compounds A), B) and optionally C) are processed, for example, as follows by b1) reacting compounds A) and B) and optionally C) under exclusion of water to obtain a polymer with curable silicon-functional groups and b2) applying said polymer to a surface, gap or a three-dimensional template and curing the silicon-functional groups with ambient water. The polymer comprises 0.001 to 0.3 mol of silicon per 100 g of the polymer.

  提供了一种制备含有脲基团和硅原子的交联聚合物的过程，其中a）使用具有五元环单硫代碳酸酯基团的化合物A）和具有氨基的化合物B），所述氨基被选择为主要或次要氨基或被阻断的氨基，以及可选地使用具有至少一个与-SH基团反应的官能团的化合物C）作为起始材料，其中所述化合物中的一个包括硅官能团，化合物A）、B）和可选的C）被处理，例如，通过b1）在排除水的情况下使化合物A）、B）和可选的C）发生反应以获得具有可固化硅官能团的聚合物，b2）将所述聚合物应用于表面、间隙或三维模板，并用周围的水固化硅官能团。所述聚合物中每100克聚合物含有0.001至0.3摩尔的硅。
• [EN] SULFONIUM SULFATES, THEIR PREPARATION AND USE<br/>[FR] SULFATES DE SULFONIUM, LEUR PRÉPARATION ET UTILISATION
  申请人：BASF SE

  公开号：WO2012113829A1

  公开（公告）日：2012-08-30

  The present invention relates to a heat-curable composition comprising (a) at least one compound which is capable of undergoing cationic polymerization; and (b) at least one sulfonium sulfate selected from compounds of the formulae Ia and Ib where Yn- is a monovalent or divalent anion selected from (1) where n, M, R1 to R10 are as defined in claim 1 and in the description. The present invention also relates to novel sulfonium sulfates of the formulae Ia and Ib, to a process for curing cationically polymerizable material and to the cured material obtained by said process.

  本发明涉及一种热固化组合物，包括（a）至少一种能够进行阳离子聚合的化合物；和（b）选择自式Ia和Ib的至少一种砜酸盐，其中Yn-是从（1）中选择的一价或二价阴离子，其中n、M、R1至R10如权利要求1和描述中所定义。本发明还涉及式Ia和Ib的新型砜酸盐，以及用于固化阳离子聚合材料的工艺和通过该工艺获得的固化材料。
• METHOD FOR PRODUCING TRANS-BIS(AMINOMETHYL)CYCLOHEXANE, METHOD FOR PRODUCING BIS(ISOCYANATOMETHYL)CYCLOHEXANE, BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, AND POLYURETHANE RESIN
  申请人：MITSUI CHEMICALS, INC.

  公开号：US20160207875A1

  公开（公告）日：2016-07-21

  A method for producing trans-bis(aminomethyl)cyclohexane includes a trans-isomerization step in which cis-dicyanocyclohexane is isomerized into trans-dicyanocyclohexane by heating dicyanocyclohexane containing cis-dicyanocyclohexane in the presence of a tar component produced by distillation of dicyanocyclohexane; and an aminomethylation step in which trans-dicyanocyclohexane produced by the trans-isomerization step is allowed to contact with hydrogen to produce trans-bis(aminomethyl)cyclohexane.

  生产反式-双(氨甲基)环己烷的方法包括以下步骤：在一个反式异构化步骤中，通过加热含有顺-二氰基环己烷的二氰基环己烷，在二氰基环己烷的蒸馏产生的焦油组分的存在下，将顺-二氰基环己烷异构化为反-二氰基环己烷；以及在一个氨甲基化步骤中，通过让通过反式异构化步骤产生的反-二氰基环己烷与氢接触来产生反式-双(氨甲基)环己烷。