1-异氰酸基-4-丙基苯 | 85911-74-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-异氰酸基-4-丙基苯
• 英文名称: p-propylphenyl isocyanate
• 英文别名: 1-Isocyanato-4-propylbenzene
• CAS: 85911-74-6
• 化学式: C₁₀H₁₁NO
• 分子量: 161.203
• InChiKey: RKXSRNCIRYMSRK-UHFFFAOYSA-N

物化性质

• 沸点：
  227.7±19.0 °C(Predicted)
• 密度：
  0.97±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  29.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,4-丁二醇 、 1-异氰酸基-4-丙基苯 以 甲苯 为溶剂， 反应 24.0h， 以84%的产率得到1,4-bis[N-(p-propylphenyl)carbamoyloxy]butane
  参考文献：
  名称：

  Synthesis of bis[N-(p-aryl)-carbamoyloxy]alkanes as new low-molecular weight organogelators

  摘要：

  A series of bis-carbamate-based low-molecular-weight organogelators were synthesized, and their structure property relationships with respect to their gelation abilities in organic solvents were investigated. The self-aggregation behavior of the thermoreversible organogels was investigated by FTIR, temperature-dependent NMR, and SEM studies. The results revealed that the self-assembly into fibrous structures is driven by hydrogen bonding, it it stacking, and hydrophobic interactions. It was found that para-aryl substitution and the number of methylene units connecting two carbamate groups had a significant influence on gelation. The effect of temperature on gel formation was also investigated for all compounds. The most interesting feature was observed for p-hexyl derivative, which gels at -18 degrees C but not room temperature. Furthermore, thermal properties of the gels were studied by dropping ball experiments and DSC. para-Alkoxyphenyl derivatives were also found to be good organogelators for olive oil, sunflower oil, corn oil, and ethyl laurate, isopropyl myristate, n-butyl palmitate. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2015.01.042
• 作为产物：
  描述：

  三光气 、 对丙基苯胺 在 三乙胺 作用下， 以 苯 为溶剂， 以46.6%的产率得到1-异氰酸基-4-丙基苯
  参考文献：
  名称：

  Quantitative structure-activity relationships of insecticidal pyrazolines

  摘要：

  AbstractMethyl 3‐(4‐chlorophenyl)‐4‐methyl‐1‐[N‐(4‐substituted pheny1)carba‐moy1]‐2‐pyrazoline‐4‐carboxylates and related compounds were prepared. Their convulsant activity was determined as the minimum dose required to bring about the symptom within 1 h after injection against male adult American cockroaches, Periplaneta americana (L.). Insecticidal activity with metabolic inhibitors for oxidation and hydrolysis was measured 24 h after injection of the test compounds. Variations in each of the activities were analysed by using physicochemical substituent parameters and regression analysis. The findings indicated that the greater the hydrophobicity and the more the electron‐withdrawing property of the substituents, the higher were the activities. Variations in each of the two activities were parabolically related to the STERIMOL width parameter with an optimum value of about zero.

  DOI：

  10.1002/ps.2780420406

文献信息

• Novel piperazine derivatives
  申请人：——

  公开号：US20020143020A1

  公开（公告）日：2002-10-03

  The present invention is a chemical compound of formula (I) 1 or a pharmaceutically acceptable salts, solvates and esters thereof, wherein R 1 to R 4 , A 1 , A 2 m and n are as described in the specification.

  本发明是一种具有公式(I)的化学化合物 1 或其药物可接受的盐、溶剂化物和酯，其中R 1 至R 4 ，A 1 ，A 2 ，m和n如说明书中所述。
• Plant Growth-promototing Activities of Mercaptriazinone Derivatives
  作者：Masami Ogawa、Takashi Matsui、Junzo Tobitsuka、Hiroko Kitamura

  DOI：10.1080/00021369.1980.10864291

  日期：1980.9

  Twenty-nine mercaptotriazinone derivatives were synthesized and their plant growth-promoting activities were examined by the rice (Oryza sativa) seedling test in the presence or absence of gibberellic acid (GA3). For high activity in promoting the GA3-induced shoot elongation, an isopropyl or an appropriately substituted phenyl group, a hydrogen atom and a lower alkyl thio group were required in the 1-, 3-and 4-positions, respectively, of the 1,3,5-triazine-2,6-dione structure. In more detailed experiments, 4-methylthio-1-(p-tolyl)-s-triazine-2,6(1H, 3H)-dione, one of the most potent mercaptotriazinones, was found to synergistically promote the GA3-induced elongation of the first and second leaves of rice seedlings. Several mercaptotriazinone derivatives, active or inactive, in the rice seedling test were examined by the radish (Raphanus sativus) leaf disk expansion test, but all of them were completely inactive. Structure-activity relationships of mercaptotriazinone derivatives are discussed in relation to those of the corresponding alkoxytriazinone derivatives.

  合成了29种硫代三嗪酮衍生物，并通过水稻（Oryza sativa）幼苗测试在有无赤霉素（GA3）存在下检查其植物生长促进活性。为了在促进GA3诱导的茎 elongation 中表现出高活性，1-、3-和4-位的1,3,5-三嗪-2,6-二酮结构中分别需要存在异丙基或适当取代的苯基、氢原子和低级烷基硫基。在更加详细的实验中，4-甲硫基-1-(对甲基苯基)-s-三嗪-2,6(1H, 3H)-二酮被发现能够协同促进水稻幼苗第一和第二片叶子的GA3诱导伸长。通过萝卜（Raphanus sativus）叶盘扩展测试检查了多种在水稻幼苗测试中显示活性或无活性的硫代三嗪酮衍生物，但它们全部完全无活性。讨论了硫代三嗪酮衍生物的结构-活性关系，并将其与相应的醇氧三嗪酮衍生物的关系进行了比较。
• Improvements in or relating to crushing, material-reducing and like machines
  申请人：MAZEL (1980) LIMITED

  公开号：EP0070338A1

  公开（公告）日：1983-01-26

  A crushing part or component of a gyratory grinder or other crushing, grinding or material-reducing machine is provided with a shock-absorbing backing material (3) which has improved flow properties at low ambient temperatures and is formed of a filled polyurethane resin composition derived from a cold-curing liquid system formed by mixing together (a) a liquid material comprising the polyol component and at least part of the filler in the composition and wherein the polyol component comprises (i) one or more polyether polyols each having at least two hydroxyl groups per molecule, the average number of hydroxyl groups per molecule being more than 2 but not more than 3.3, (ii) one or more polyols each having at least two hydroxyl groups per molecule and containing both ether and ester groups, the average number of hydroxyl groups per molecule being more than 2 but not more than 3.3, and (iii) at least one ester of a long chain hydroxylated fatty acid having at least 10 carbon atoms (including the carboxylic carbon atom); (i) and (ii) being present in amounts such that (i) provides from 1.5 to 3.5 hydroxy groups for each hydroxy group provided by (ii), and (iii) being present in an amount of 2 to 10% by weight of said liquid material, and (b) at least one aromatic polyisocyanate in an amount such that there is an excess of isocyanate groups over hydroxyl groups in the cold-curing system, and said liquid material also includes a quaternary ammonium smectite, as defined, in an amount of from 0.2% to 2% by weight of the liquid material.

  一种回转式粉碎机或其他粉碎机、研磨机或减料机的粉碎部件或组件具有减震背衬材料 (3)，该背衬材料在低环境温度下具有更好的流动性能，由填充聚氨酯树脂组合物形成，该组合物由冷固化液体体系衍生而来，冷固化液体体系是将 (a) 一种液体材料混合在一起形成的，该液体材料包括多元醇组分和组合物中至少一部分填料，其中多元醇组分包括 (i) 一种或多种聚醚多元醇，每种多元醇每个分子至少有两个羟基、每个分子的羟基平均数目多于 2 个但不多于 3 个。3，(ii)一种或多种多元醇，每种多元醇每分子至少有两个羟基，并含有醚基和酯基，每分子羟基的平均数目大于2但不大于3.3，以及(iii)至少一种长链羟化脂肪酸酯，该脂肪酸至少有10个碳原子（包括羧基碳原子）；(i)和(ii)的存在量使得(i)每一个羟基提供1.5至3.(b) 至少一种芳香族多异氰酸酯，其用量应使冷固化体系中的异氰酸酯基团超过羟基基团，且所述液体材料还包括一种季铵盐，如所定义，其用量为液体材料重量的 0.2% 至 2%。
• Bonding polyvinyl butyral and polyurethane and method for obtaining same
  申请人：MONSANTO COMPANY

  公开号：EP0393006A1

  公开（公告）日：1990-10-17

  A polymeric laminate of a sheet containing plasticized polyvinyl butyral chemically linked by urethane groups to a polyurethane layer which is preferably thermoset and a process for inseparably bonding layers of plasticized partial polyvinyl butyral and polyurethane which comprises chemically reacting hydroxyl groups of the partial polyvinyl butyral with isocyanate groups associated with formation of the polyurethane.

  一种聚合层压材料，其片材含有通过氨基甲酸乙酯基团与聚氨酯层化学连接的增塑聚乙烯醇缩丁醛，聚氨酯层最好是热固性的，还有一种将增塑部分聚乙烯醇缩丁醛层和聚氨酯层不可分割地粘合在一起的工艺，该工艺包括使部分聚乙烯醇缩丁醛的羟基与与形成聚氨酯有关的异氰酸酯基团发生化学反应。
• TREATING AGENT FOR LIQUID CRYSTAL ALIGNMENT LAYER AND LIQUID CRYSTAL DEVICE USING THE SAME, AND METHOD FOR ALIGNMENT OF LIQUID CRYSTAL
  申请人：Nissan Chemical Industries, Ltd.

  公开号：EP1111442A1

  公开（公告）日：2001-06-27

  Object Liquid crystal-alignment agent where uniform liquid alignment of liquid crystals is effectively manifested by the irradiation with light over the liquid crystal alignment film without rubbing treatment of the liquid crystal alignment film thereof, and further manifests liquid crystal alignment with high stability and high light resistance, liquid crystals device with the use of said alignment agent and the method of the liquid crystal alignment by the use of said liquid crystal alignment agent. Constitution Liquid crystal alignment agent where polymer compound having bonds shown in the general formula (1) - (7) below wherein R1, R2 and R3 are independently of each other hydrogen, alkyl, substituted alkyl, aryl or propargyl; in the polymer compound thereof with number-average molecular weight of 1,000 - 300,000, and said bond makes the direct bond with either divalent or trivalent aromatic group at the both ends of said bond or with divalent or trivalent aromatic group making the direct bond at one end while at the other forming the direct bond with divalent or trivalent alicyclic hydrocarbon group, liquid crystal device by the use of said liquid crystal alignment agent and the method of the liquid crystal alignment by the use of said liquid crystal alignment agent.

  目标 无需对液晶对位膜进行摩擦处理，通过对液晶对位膜进行光照射，即可有效实现液晶的均匀液态对位，并进一步实现高稳定性和高耐光性液晶对位的液晶对位剂、使用所述对位剂的液晶装置以及使用所述液晶对位剂的液晶对位方法。 构成 液晶配向剂，其中的聚合物化合物具有以下通式（1）-（7）所示的键 其中 R1、R2 和 R3 相互独立地为氢、烷基、取代烷基、芳基或丙基；在其平均分子量为 1,000 - 300,000 的聚合物化合物中，所述键在所述键的两端与二价或三价芳香族基团直接键合，或在一端与二价或三价芳香族基团直接键合，而在另一端与二价或三价脂环烃基团直接键合，通过使用所述液晶配向剂的液晶装置和通过使用所述液晶配向剂的液晶配向方法。