4,4-dimethylheptamethylenediamine | 4128-81-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4,4-dimethylheptamethylenediamine
• 英文别名: 1,7-diamino-4,4-dimethyl-heptane；4,4-Dimethyl-1,7-heptanediamine；4,4-dimethylheptane-1,7-diamine
• CAS: 4128-81-8
• 化学式: C₉H₂₂N₂
• 分子量: 158.287
• InChiKey: ZWIBGDOHXGXHEV-UHFFFAOYSA-N

物化性质

• 沸点：
  236.8±8.0 °C(Predicted)
• 密度：
  0.857±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• 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：

  S-甲基异硫脲硫酸盐 、 4,4-dimethylheptamethylenediamine 以 水 为溶剂， 以40%的产率得到
  参考文献：
  名称：

  Branched-chain and unsaturated 1,7-Diaminoheptane derivatives as deoxyhypusine synthase inhibitors

  摘要：

  Deoxyhypusine synthase catalyzes the first step in the posttranslational biosynthesis of the unusual amino acid hypusine [N-epsilon-(4-amino-2-hydroxybutyl)lysine] in eukaryotic translation initiation factor 5A (eIF-SA). eIF-SA and its single hypusine residue are essential for cell proliferation. Two series of 1,7-diaminoheptane derivatives were prepared and tested as inhibitors of human deoxyhypusine synthase. These include branched-chain saturated derivatives and both branched- and straight-chain unsaturated derivatives providing size and positional variation in branching and different torsional constraints. Of the branched-chain compounds, 7-amino-1-guanidinooctane (39) proved to be the most potent inhibitor in vitro (IC50, 34 nM), while 1,7-diamino-trans-hept-3-ene (20a) displayed the greatest inhibition (IC50, 0.7 mu M) among the unsaturated compounds. Compound 39 also provided effective inhibition of hypusine production in Chinese hamster ovary cells in culture. Considerations of the in vitro inhibition data reported here, along with earlier findings, allowed some speculation concerning the conformation of the substrate spermidine during its productive interaction at the active site of deoxyhypusine synthase. Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0968-0896(97)10030-x
• 作为产物：
  描述：

  4,4-dimethylheptanedinitrile 在 硼烷四氢呋喃络合物 作用下， 以 四氢呋喃 为溶剂， 以66%的产率得到4,4-dimethylheptamethylenediamine
  参考文献：
  名称：

  Branched-chain and unsaturated 1,7-Diaminoheptane derivatives as deoxyhypusine synthase inhibitors

  摘要：

  Deoxyhypusine synthase catalyzes the first step in the posttranslational biosynthesis of the unusual amino acid hypusine [N-epsilon-(4-amino-2-hydroxybutyl)lysine] in eukaryotic translation initiation factor 5A (eIF-SA). eIF-SA and its single hypusine residue are essential for cell proliferation. Two series of 1,7-diaminoheptane derivatives were prepared and tested as inhibitors of human deoxyhypusine synthase. These include branched-chain saturated derivatives and both branched- and straight-chain unsaturated derivatives providing size and positional variation in branching and different torsional constraints. Of the branched-chain compounds, 7-amino-1-guanidinooctane (39) proved to be the most potent inhibitor in vitro (IC50, 34 nM), while 1,7-diamino-trans-hept-3-ene (20a) displayed the greatest inhibition (IC50, 0.7 mu M) among the unsaturated compounds. Compound 39 also provided effective inhibition of hypusine production in Chinese hamster ovary cells in culture. Considerations of the in vitro inhibition data reported here, along with earlier findings, allowed some speculation concerning the conformation of the substrate spermidine during its productive interaction at the active site of deoxyhypusine synthase. Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0968-0896(97)10030-x

文献信息

• CYCLIC CARBODIIMIDE COMPOUNDS
  申请人：Shoji Shinichiro

  公开号：US20110251384A1

  公开（公告）日：2011-10-13

  A cyclic carbodiimide compound which is useful as an end-sealing agent for polymer compounds. The cyclic carbodiimide compound is represented by the following formula (i): In the above formula, X is a divalent group or a tetravalent group represented by the following formula (i-4). When X is divalent, q is 0 and when X is tetravalent, q is 1. Ar 1 to Ar 4 are each independently an aromatic group. They may be substituted by an alkyl group having 1 to 6 carbon atoms or phenyl group.

  一种环状羰基胺化合物，可用作聚合物化合物的端封剂。该环状羰基胺化合物由以下式(i)表示：在上述式中，X是由以下式(i-4)表示的二价基团或四价基团。当X为二价时，q为0；当X为四价时，q为1。Ar1至Ar4分别是独立的芳香基团。它们可以被具有1至6个碳原子的烷基基团或苯基取代。
• CYCLIC CARBODIIMIDE COMPOUND
  申请人：Shoji Shinichiro

  公开号：US20130079510A1

  公开（公告）日：2013-03-28

  Disclosed is a cyclic carbodiimide compound useful as an end-capping agent for polymer compounds. The cyclic carbodiimide compound is represented by the following formula (i): wherein X is a specific divalent group or tetravalent group, q is 0 when X is a divalent group, while q is 1 when X is a tetravalent group, and Ar 1 to Ar 4 are selected from aromatic groups each independently optionally substituted with a group that serves as X.

  揭示了一种循环脲醛化合物，可用作聚合物化合物的末端封端剂。该循环脲醛化合物由以下式（i）表示：其中X是特定的二价基团或四价基团，当X是二价基团时，q为0，而当X是四价基团时，q为1，Ar1至Ar4选择自各自独立地可选择地取代为X的基团的芳香族基团。
• NOVEL DIAMINO COMPOUNDS, POLYAMIC ACID, POLYIMIDE, LIQUID-CRYSTAL ALIGNMENT FILM MADE FROM FILM OF THE POLYIMIDE, AND LIQUID-CRYSTAL DISPLAY ELEMENT CONTAINING THE ALIGNMENT FILM
  申请人：Chisso Corporation

  公开号：EP1020442A1

  公开（公告）日：2000-07-19

  Diamino compounds represented by general formula (1); a polyamic acid and a polyimide both obtained from any of the diamino compounds; and an alignment film made from the polyimide. The alignment film is obtained by irradiating a film of the polyimide with polarized ultraviolet. (In general formula (1), G1 represents a C2-20 trivalent organic group; G2 independently represents a single bond, - COO-, -NHCO-, -O-, -S-, etc.; G3 represents a single bond or C1-20 alkylene; X and Y each independently represents hydrogen, fluorine, cyano, C1-12 alkyl, C3-8 cycloalkyl, etc.; and m is an integer of 0 to 3).

  通用公式（1）表示的二氨基化合物；从任何二氨基化合物获得的聚酰胺酸和聚酰亚胺；以及由聚酰亚胺制成的取向膜。 取向膜是通过用偏振紫外线照射聚酰亚胺薄膜获得的。（在通用公式（1）中，G1表示C2-20三价有机基；G2独立表示单键，-COO-，-NHCO-，-O-，-S-等；G3表示单键或C1-20烷基；X和Y各自独立表示氢，氟，氰基，C1-12烷基，C3-8环烷基等；m为0到3的整数）。
• COMPOSITIONS AND METHODS FOR POLYMER COMPOSITES
  申请人：Chan Pong Kwok

  公开号：US20080021175A1

  公开（公告）日：2008-01-24

  This invention relates to organic salt compositions useful in the preparation of organoclay compositions, polymer-organoclay composite compositions, and methods for the preparation of polymer nanocomposites. In one embodiment, the present invention provides a pyridinium salt having structure XV wherein Ar 6 , Ar 7 , and Ar 8 are independently C 2 -C 50 aromatic radicals; “b” is a number from 0 to 2; “d” is a number from 0 to 4; R 3 and R 4 are independently at each occurrence a halogen atom, a C 1 -C 20 aliphatic radical, a C 5 -C 20 cycloaliphatic radical, or a C 2 -C 20 aromatic radical; Z is a bond, a divalent C 1 -C 20 aliphatic radical, a divalent C 5 -C 20 cycloaliphatic radical, a divalent C 2 -C 20 aromatic radical, an oxygen linking group, a sulfur linking group, a SO 2 linking group, or a Se linking group; Ar 9 is a C 10 -C 200 aromatic radical, or a polymer chain comprising at least one aromatic group; and X − is a charge balancing counterion.

  这项发明涉及有机盐组合物，用于制备有机粘土组合物、聚合物-有机粘土复合物组合物，以及制备聚合物纳米复合材料的方法。在一个实施例中，本发明提供了一种具有结构XV的吡啶盐，其中Ar6、Ar7和Ar8分别是C2-C50芳香基团；“b”是从0到2的数字；“d”是从0到4的数字；R3和R4在每次出现时独立地是卤素原子、C1-C20脂肪基、C5-C20环脂肪基或C2-C20芳香基；Z是一个键合、二价的C1-C20脂肪基、二价的C5-C20环脂肪基、二价的C2-C20芳香基、氧链连接基、硫链连接基、SO2链连接基或Se链连接基；Ar9是一个C10-C200芳香基团，或者包含至少一个芳香基团的聚合物链；X^−是一个电荷平衡的对离子。
• [EN] METHODS FOR THE MANUFACTURE OF AN AROMATIC BISIMIDE AND A POLYETHERIMIDE<br/>[FR] PROCÉDÉS DE PRODUCTION D'UN BISIMIDE AROMATIQUE ET D'UN POLYÉTHERIMIDE
  申请人：SABIC GLOBAL TECHNOLOGIES BV

  公开号：WO2017117449A1

  公开（公告）日：2017-07-06

  A method for producing an aromatic bisimide includes reacting a dialkali metal salt of a dihydroxy aromatic compound with an N-alkyl nitrophthalimide to form a product mixture including the aromatic bisimide. The N-alkyl nitrophthalimide includes 4-nitro-N-(C1-13 alkyl)phthalimide, 3-nitro-N-(C1-13 alkyl)phthalimide, or a combination including at least one of the foregoing, and 4-hydroxy-3,5-dinitro-N-(C1-13 alkyl)phthalimide in an amount of 1-10000 ppm. The aromatic bisimide can be obtained in a yield of greater than 75%, or 90-99.8%. A method for the manufacture of a polyetherimide, a polyetherimide, and an article including the polyetherimide are also disclosed. A mixed acid nitration process for the preparation of an N-alkyl nitrophthalimide is also described.

  一种生产芳香双酰亚胺的方法包括将二羟基芳香化合物的二碱金属盐与N-烷基硝基邻苯二酰亚胺反应，形成包括芳香双酰亚胺在内的产物混合物。N-烷基硝基邻苯二酰亚胺包括4-硝基-N-(C1-13 烷基)邻苯二酰亚胺、3-硝基-N-(C1-13 烷基)邻苯二酰亚胺，或者包括上述至少一种的组合，以及4-羟基-3,5-二硝基-N-(C1-13 烷基)邻苯二酰亚胺，其浓度为1-10000 ppm。芳香双酰亚胺可以以大于75%的产率获得，或者为90-99.8%。还公开了一种用于制造聚醚酰亚胺、聚醚酰亚胺以及包括聚醚酰亚胺的制品的方法。还描述了一种用于制备N-烷基硝基邻苯二酰亚胺的混合酸硝化过程。

表征谱图