1,5-diisocyanatopentane | 4538-42-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,5-diisocyanatopentane
• 英文别名: pentamethylene diisocyanate；PDI；1,5-pentamethylene diisocyanate；Pentamethylendiisocyanat；1,5-pentane diisocyanate；pentane 1,5-diisocyanate
• CAS: 4538-42-5
• 化学式: C₇H₁₀N₂O₂
• 分子量: 154.169
• InChiKey: DFPJRUKWEPYFJT-UHFFFAOYSA-N

物化性质

• 沸点：
  220-290℃ at 101.325kPa
• 密度：
  1.072 at 20℃
• LogP：
  2.7
• 表面张力：
  72.2mN/m at 1g/L and 20℃

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  58.9
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2929109000

反应信息

• 作为反应物：
  描述：

  1,5-diisocyanatopentane 在 氨 、 水 作用下， 生成 N,N'-Bis-carbamoyl-pentamethylendiamin
  参考文献：
  名称：

  Iwakura et al., Kobunshi Kagaku, 1951, vol. 8, p. 524,526

  摘要：

  DOI：
• 作为产物：
  描述：

  庚二酸 在 三乙胺 、 二苯基膦叠氮化物 作用下， 以 甲苯 为溶剂， 反应 5.75h， 生成 1,5-diisocyanatopentane
  参考文献：
  名称：

  Phosphate selective alkylenebisurea receptors: structure-binding relationship

  摘要：

  New host molecules for anions, adamantane, and alkyl urea derivatives substituted by naphthalene chromophores, were synthesized. Their binding with F-, Cl-, Br-, OAc-, HSO4-, NO3-, and H2PO4- was investigated by UV-vis, fluorescence and NMR spectroscopy. The anion binding ability of adamantyl bisurea derivatives was compared with the analogous host molecules, wherein the urea moieties are separated by flexible alkyl linkers of the same length, and adamantane monourea derivative. The host molecules show the highest selectivity toward F- and H2PO4-. The binding stoichiometry and the values of the association constants depend on the basicity of anions, availability of H-bonding sites, preorganization, and rigidity of the hosts, as well as solvent polarity and H-bonding availability. Rigid adamantane receptors, compared to flexible analogues show increased selectivity for H2PO4-, whereas binding of OAc- is better with flexible receptors. The binding of OAc- and H2PO4- was investigated by microcalorimetry. The stoichiometries and the stability constants of the corresponding complexes obtained by this method were in good agreement compared to those determined by UV-vis titrations. In both cases the enthalpic contribution to the overall complex stability was predominant. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.03.096

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。
• METHOD FOR PRODUCING ISOCYANATES
  申请人：Olbert Gerhard

  公开号：US20100210870A1

  公开（公告）日：2010-08-19

  The present invention relates to a process for preparing isocyanates.

  本发明涉及一种制备异氰酸酯的方法。
• [EN] PROCESS FOR THE PREPARATION OF ISOCYANATES<br/>[FR] PROCÉDÉ DE PRÉPARATION D'ISOCYANATES
  申请人：COVESTRO DEUTSCHLAND AG

  公开号：WO2019145380A1

  公开（公告）日：2019-08-01

  The invention relates to a process for the preparation of aliphatic, cycloaliphatic or araliphatic isocyanates by reacting at least one primary organic amine with a stoichiometric excess of phosgene in the gas phase, comprising the steps a) reaction of the primary organic amine with an excess of phosgene in the gas phase and quenching the process product with a liquid comprising an inert aromatic solvent to obtain a liquid stream containing the isocyanate and a gas stream containing HCl and phosgene, b) separation of the gas stream containing HCl and phosgene obtained in step a) into a gas stream containing HCl and a liquid stream containing phosgene, c) partial vaporization of the liquid stream containing phosgene obtained in step b) to produce a gas stream containing phosgene, d) the gas stream containing phosgene obtained in step c) is at least partially recycled into the reaction in step a), and wherein the gas stream containing phosgene obtained in step c) contains 0.5 wt% or less of the sum of benzene, chlorobenzene and dichlorobenzene. The invention additionally relates to an isocyanate composition.

  本发明涉及一种通过气相中至少一种一级有机胺与计量过量的光气反应来制备脂肪族、环脂肪族或芳脂肪族异氰酸酯的过程，包括以下步骤：a) 一级有机胺与过量的光气在气相中反应，并且用含有惰性芳香溶剂的液体淬灭过程产物，以获得含有异氰酸酯的液体流和含有氯化氢和光气的气体流；b) 将步骤a)中获得的含有氯化氢和光气的气体流分离成含有氯化氢的气体流和含有光气的液体流；c) 部分汽化步骤b)中获得的含有光气的液体流，以产生含有光气的气体流；d) 将步骤c)中获得的光气气体流至少部分地循环回到步骤a)中的反应中；并且其中，步骤c)中获得的光气气体流含有0.5重量%或以下的苯、氯苯和二氯苯的总和。本发明还涉及一种异氰酸酯组合物。
• METHOD FOR PRODUCING 1,5-PENTANEDIISOCYANATE IN THE GAS PHASE
  申请人：Covestro Deutschland AG

  公开号：US20170283370A1

  公开（公告）日：2017-10-05

  The invention relates to a method for producing 1,5-pentanediisocyanate (PDI) by reacting 1,5-pentanediamine (PDA) with phosgene in the gas phase.

  该发明涉及一种通过将1,5-戊二胺（PDA）与光气在气相中反应来生产1,5-戊二异氰酸酯（PDI）的方法。
• ペンタメチレンジイソシアネートの製造方法
  申请人：三井化学株式会社

  公开号：JP2018087167A

  公开（公告）日：2018-06-07

  【課題】造塩工程において、ペンタメチレンジアミン塩酸塩を含む造塩混合物の流動性の低下を抑制し、ペンタメチレンジアミン塩酸塩が撹拌槽に付着することを抑制できるペンタメチレンジイソシアネートの製造方法を提供する。【解決手段】ペンタメチレンジアミンと塩化水素とを、得られるペンタメチレンジアミン塩酸塩の全粒子のうち、二次粒子径が５０μｍを超過し２００μｍ未満の範囲であるペンタメチレンジアミン塩酸塩の粒子の存在比率が、体積基準で５０％以上となるように調整して混合する。その後、ペンタメチレンジアミン塩酸塩と塩化カルボニルとを反応させて、ペンタメチレンジイソシアネートを得る。【選択図】図１

  【课题】在造盐工程中，提供一种生产戊二烯亚胺的方法，能够抑制含有戊二烯亚胺盐酸盐的造盐混合物流动性的降低，并抑制戊二烯亚胺盐酸盐在搅拌槽中的附着。 【解决手段】将戊二烯亚胺与氯化氢混合，调整混合比例，使得所得戊二烯亚胺盐酸盐的全部粒子中，二次粒子直径超过50微米且小于200微米的戊二烯亚胺盐酸盐粒子的存在比率，按体积计算达到50%以上。然后，将戊二烯亚胺盐酸盐与氯化碳酰胺反应，从而得到戊二烯亚胺。 【选择图】图1