1,7-heptamethylene diisocyanate | 18020-78-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,7-heptamethylene diisocyanate
• 英文别名: 1,7-diisocyanatoheptane；heptanediyl diisocyanate；Heptandiyldiisocyanat；heptamethylene diisocyanate；1,7-heptanediisocyanate；Heptamethylen-diisocyanat
• CAS: 18020-78-5
• 化学式: C₉H₁₄N₂O₂
• 分子量: 182.222
• InChiKey: UTFSEWQOIIZLRH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  13
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  58.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,7-heptamethylene diisocyanate 在 sodium hydride 、 水 作用下， 以 N,N-二甲基甲酰胺 、 乙酸乙酯 为溶剂， 反应 2.5h， 生成 N,N'-[heptane-1,7-diylbis(iminocarbonyl)]bis(5-methylthiophene-3-sulfonamide)
  参考文献：
  名称：

  Sulfonamide derivatives

  摘要：

  公式（I）的化合物，以及 pharmaceutically acceptable salts and esters thereof，其中 L, R1, R2, m 和 n 的含义如权利要求 1 所述，并且可以以药物组合物的形式使用。

  公开号：

  US20080085928A1
• 作为产物：
  描述：

  1,7-二氨基庚烷 在 溴 作用下， 以 苯 为溶剂， 生成 1,7-heptamethylene diisocyanate
  参考文献：
  名称：

  Lesiak,T.; Seyda,K., Journal fur praktische Chemie (Leipzig 1954), 1979, vol. 321, p. 161 - 163

  摘要：

  DOI：

文献信息

• Diamine Compound Having Phosphorylcholine Group, Polymer Thereof, and Process for Producing the Polymer
  申请人：Nagase Yu

  公开号：US20100036081A1

  公开（公告）日：2010-02-11

  Highly polymerizable diamine compounds having a phosphorylcholine group are disclosed. High-molecular weight polymers are obtained from the highly polymerizable diamine compound having a phosphorylcholine group as a monomer, and the polymers have improved mechanical strength, water resistance and heat resistance while maintaining excellent biocompatibility and processability of MPC polymers. Processes for producing the polymers are disclosed. The diamine compounds having a phosphorylcholine group are represented by Formula (I). The polymers contain at least 1 mol % of a specific structural unit with a phosphorylcholine group represented by Formula (II) and have a number average molecular weight of not less than 5,000. In the processes, the diamine compound is used as a monomer.

  具有磷酰胆碱基团的高聚合性二胺化合物被披露。从具有磷酰胆碱基团的高聚合性二胺化合物作为单体得到高分子量聚合物，这些聚合物具有改善的机械强度、耐水性和耐热性，同时保持MPC聚合物的优异生物相容性和加工性。披露了生产这些聚合物的方法。具有磷酰胆碱基团的二胺化合物由式(I)表示。这些聚合物含有至少1摩尔％的由式(II)表示的具有磷酰胆碱基团的特定结构单元，并且具有不低于5,000的数均分子量。在这些方法中，二胺化合物被用作单体。
• [EN] FLOW CHEMISTRY SYNTHESIS OF ISOCYANATES<br/>[FR] SYNTHÈSE CHIMIQUE EN FLUX D'ISOCYANATES
  申请人：UNIV CALIFORNIA

  公开号：WO2021119606A1

  公开（公告）日：2021-06-17

  The disclosure provides, inter alia, safe and environmentally-friendly methods, such as flow chemistry, to synthesize isocyanates, such as methylene diphenyl diisocyanate, toluene diisocyanate, hexamethylene diisocyanate, isophorone diisocyanate, and tetramethylxylene diisocyanate.

  该披露提供了诸如流动化学等安全环保的方法，用于合成异氰酸酯，例如亚甲基二苯基二异氰酸酯、甲苯二异氰酸酯、己二胺二异氰酸酯、异佛尔酮二异氰酸酯和四甲基二异氰酸酯。
• Synthesis of acylguanidine analogs: inhibitors of ADP-induced platelet aggregation
  作者：Edward W. Thomas、Edward E. Nishizawa、David C. Zimmermann、Davey J. Williams

  DOI：10.1021/jm00121a041

  日期：1989.1

  Routine screening of compounds for inhibition of ADP-induced platelet aggregation in vitro revealed that 1,1'-hexamethylenebis[3-cyclohexyl-3-[(cyclohexylimino) (4-morpholinyl) methyl]urea] (1) was active and represented the first example of a bis(acylguanidine) with possible antithrombotic activity. In order to develop a structure-activity relationship for this class of compounds, we synthesized a

  在体外常规筛选抑制ADP诱导的血小板凝集的化合物显示1,1'-六亚甲基双[3-环己基-3-[（环己基氨基）（4-吗啉基）甲基]脲]（1）具有活性并代表具有可能的抗血栓形成活性的双（酰基胍）的第一个例子。为了建立这类化合物的构效关系，我们合成了许多新的双（酰基胍）。这些在体外进行了测试，并且一些类似物也具有活性。离体测试显示化合物22、41、58和70-73在大鼠或豚鼠中具有口服活性。
• Flame retardant, precursor thereof, and flame retardant material
  申请人：X-EXTREME PTE. LTD.

  公开号：US10407449B1

  公开（公告）日：2019-09-10

  A flame retardant is provided, which has a structure represented by the following Structural Formula (I) or (II): wherein R1 and R2 each independently represent a substituted or unsubstituted aromatic group, a substituted or unsubstituted araliphatic group, a substituted or unsubstituted aliphatic group, or a substituted or unsubstituted cycloaliphatic group; R2 is R2N═C═N—R5m, wherein R5 is arylene or alkylene, and is identical or different in the repeat unit, and m is an integer from 0 to 5; n is an integer equal to or larger than 1; “” and “” respectively represent either a double bond or two single bonds, and “” and “” are not both double bonds; when “” represents a double bond, R3 is an oxygen atom; when “” represents two single bonds, R3 is R3a and R3b, in which R3a is a hydroxyl group and R3b is when “” represents a double bond, R4 is a nitrogen atom; when “” represents two single bonds, R4 is R4a and R4b, in which R4a is a secondary amino group and R4b is and R2′ is attached to R4a in Structural Formula (I), and R2 is attached to R4a in Structural Formula (II).

  提供一种阻燃剂，其结构由以下结构式（I）或（II）表示：其中R1和R2分别独立表示取代或未取代的芳香基团，取代或未取代的芳基脂肪基团，取代或未取代的脂肪基团，或取代或未取代的环脂基团；R2是R2N═C═N—R5m，其中R5是芳烃基或烷基，在重复单元中相同或不同，m为0到5的整数；n为大于等于1的整数；“”和“”分别表示双键或两个单键，“”和“”不同时为双键；当“”表示双键时，R3为氧原子；当“”表示两个单键时，R3为R3a和R3b，其中R3a为羟基，R3b为；当“”表示双键时，R4为氮原子；当“”表示两个单键时，R4为R4a和R4b，其中R4a为次级氨基团，R4b为；在结构式（I）中，R2'连接到R4a，而在结构式（II）中，R2连接到R4a。
• NON-AQUEOUS ELECTROLYTE AND ELECTRICITY STORAGE DEVICE
  申请人：UBE INDUSTRIES, LTD.

  公开号：US20150372349A1

  公开（公告）日：2015-12-24

  The present invention provides a nonaqueous electrolytic solution capable of improving electrochemical characteristics in the case of using an energy storage device at a high temperature and further capable of inhibiting the gas generation as well as a capacity retention rate after a high-temperature cycle, and also to provide an energy storage device using the same. Disclosed are a nonaqueous electrolytic solution having an electrolyte salt dissolved in a nonaqueous solvent, the nonaqueous electrolytic solution containing a phenyl ester compound represented by the following general formula (I), and an energy storage device. (In the formula, R f represents a fluoroalkyl group having 1 to 6 carbon atoms; X represents a halogen atom; each of p and q is an integer of 1 to 4; and (p+q) is 5 or less. A has a structure represented by —S(═O) 2 —, —C(═O)—, —C(═O)—O—, —C(═O)-L 1 -C(═O)—, —C(═O)-L 2 -P(═O)(OR)—O—, or —P(═O)(OR)—O—. Y represents a fluorine atom, a hydrogen atom, an alkyl group, an alkenyl group, an alkynyl group, or an aryl group; L 1 represents an alkylene group, an alkenylene group, an alkynylene group, or a direct bond; L 2 represents an alkylene group; and R represents an alkyl group. However, only when A is —S(═O) 2 —, Y may be a fluorine atom; and only when A is —C(═O)—, Y may be a hydrogen atom. At least one hydrogen atom in each group of the aforementioned alkyl group, alkenyl group, alkynyl group, aryl group, alkylene group, alkenylene group, and alkynylene group may be substituted with a halogen atom.)

  本发明提供了一种非水电解质溶液，能够在高温下使用能量存储装置时改善电化学特性，并且在高温循环后能够抑制气体生成以及保持容量保留率，还提供了使用该非水电解质溶液的能量存储装置。所述非水电解质溶液包含溶解在非水溶剂中的电解质盐，该非水电解质溶液包含下述通式（I）所代表的苯酯化合物，以及能量存储装置。（在该式中，Rf代表具有1至6个碳原子的氟烷基；X代表卤素原子；p和q中的每一个是1至4的整数；以及（p+q）不超过5。A具有由—S(═O)2—、—C(═O)—、—C(═O)—O—、—C(═O)-L1-C(═O)—、—C(═O)-L2-P(═O)(OR)—O—或—P(═O)(OR)—O—表示的结构。Y代表氟原子、氢原子、烷基、烯基、炔基或芳基；L1代表烷基、烯基、炔基或直链键；L2代表烷基；R代表烷基。但是，仅当A为—S(═O)2—时，Y可以是氟原子；仅当A为—C(═O)—时，Y可以是氢原子。上述烷基、烯基、炔基、芳基、烷基、烯基和炔基中的每一组中至少一个氢原子可以被卤素原子取代。）