3-异氰酸基戊烷 | 42065-78-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 3-异氰酸基戊烷
• 英文名称: 1-ethylpropyl isocyanate
• 英文别名: 1-Aethyl-propylisocyanat；3-Isocyanatopentane
• CAS: 42065-78-1
• 化学式: C₆H₁₁NO
• mdl: MFCD09948655
• 分子量: 113.159
• InChiKey: MJTTZPPXKNHJBG-UHFFFAOYSA-N

物化性质

• 沸点：
  125-126 °C
• 密度：
  0.87±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  29.4
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2929109000

反应信息

• 作为反应物：
  描述：

  3-二乙氨基-1-丙醇 、 3-异氰酸基戊烷 在 甲苯 作用下， 生成 (1-ethyl-propyl)-carbamic acid-(3-diethylamino-propyl ester)
  参考文献：
  名称：

  A study of monoalkylcarbamates as local anesthetics

  摘要：

  DOI：

  10.1002/jps.3030391011
• 作为产物：
  描述：

  光气 、 alkaline earth salt of/the/ methylsulfuric acid 在 邻二氯苯 作用下， 生成 3-异氰酸基戊烷
  参考文献：
  名称：

  Siefken, Justus Liebigs Annalen der Chemie, 1949, vol. 562, p. 75,1114

  摘要：

  DOI：

文献信息

• [EN] COMPOUNDS AND METHODS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR<br/>[FR] COMPOSÉS ET PROCÉDÉS DE MODULATION DU RÉCEPTEUR A2B DE L'ADÉNOSINE ET DU RÉCEPTEUR A2A DE L'ADÉNOSINE
  申请人：CORVUS PHARMACEUTICALS INC

  公开号：WO2019046784A1

  公开（公告）日：2019-03-07

  Disclosed herein, inter alia, are compositions and methods for modulating Adenosine Receptors. In an aspect is provided a method of inhibiting Adenosine A2B Receptor activity and Adenosine A2A Receptor activity, the method including contacting the Adenosine A2B Receptor and Adenosine A2A Receptor with a compound as described herein, including embodiments.

  在此披露的内容包括调节腺苷受体的组合物和方法。在一个方面，提供了一种抑制腺苷A2B受体活性和腺苷A2A受体活性的方法，该方法包括将腺苷A2B受体和腺苷A2A受体与本文描述的化合物接触，包括各种实施方式。
• THIOEPOXY BASED POLYMERIZABLE COMPOSITION AND METHOD FOR PRODUCTION THEREOF
  申请人：MITSUI CHEMICALS, INC.

  公开号：EP1484352A1

  公开（公告）日：2004-12-08

  A polymerizable composition and a manufacturing method thereof are provided, in which the composition is capable of meeting requirements of overcoming decrease in production yield of a resin composed of a thioepoxy compound, the decrease being caused by variations in refractive index, hue, and optical strain. In a polymerizable composition containing a compound having at least one structure represented by the above formula (where R1 represents a hydrocarbon having 1 to 10 carbon atoms, R2, R3, and R4 each represent a hydrocarbon group having 1 to 10 carbon atoms or a hydrogen atom.), the total of a thioepoxy compound A, which has at least one structure represented by formula (2) and at least one structure represented by formula (3), and a thioepoxy compound B, which has at least one structure represented by formula (4) and at least one structure represented by formula (3), is 4 mass percent or less with respect to the total mass of the polymerizable composition. A polymerizable composition and a manufacturing method thereof are provided, in which the composition is capable of meeting requirements of overcoming decrease in production yield of a resin composed of a thioepoxy compound, the decrease being caused by variations in refractive index, hue, and optical strain. In a polymerisable composition containing a compound having at least one structure represented by the above formula (where R1 represents a hydrocarbon having 1 to 10 carbon atoms, R2, R3, and R4 each represent a hydrocarbon group having 1 to 10 carbon atoms or a hydrogen atom.), the total of a thioepoxy compound A, which has at least one structure represented by formula (2) and at least one structure represented by formula (3), and a thioepoxy compound B, which has at least one structure represented by formula (4) and at least one structure respresented by formula (3), is 4 mass precent or less with respect to the total mass of the polymerizable composition.

  本发明提供了一种可聚合组合物及其制造方法，其中的组合物能够满足克服由硫环氧化合物组成的树脂产量下降的要求，这种下降是由折射率、色调和光学应变的变化引起的。 在含有至少一种具有上式结构的化合物的可聚合组合物中（其中 R1 代表具有 1 至 10 个碳原子的烃，R2、R3 和 R4 分别代表具有 1 至 10 个碳原子的烃基或氢原子。)，硫环氧化合物 A（至少具有一种由式（2）表示的结构和至少一种由式（3）表示的结构）和硫环氧化合物 B（至少具有一种由式（4）表示的结构和至少一种由式（3）表示的结构）的总质量占可聚合组合物总质量的 4%或更少。 本发明提供了一种可聚合组合物及其制造方法，其中的组合物能够满足克服由硫环氧化合物组成的树脂产量下降的要求，这种下降是由折射率、色调和光学应变的变化引起的。 在含有至少一种具有上式结构的化合物的可聚合组合物中（其中 R1 代表具有 1 至 10 个碳原子的烃，R2、R3 和 R4 分别代表具有 1 至 10 个碳原子的烃基或氢原子。)，硫环氧化合物 A（至少具有一种由式（2）表示的结构和至少一种由式（3）表示的结构）和硫环氧化合物 B（至少具有一种由式（4）表示的结构和至少一种由式（3）表示的结构）的总质量占可聚合组合物总质量的 4%或更少。
• POLYMERIZABLE COMPOSITION CONTAINING NOVEL CYCLIC SULFUR COMPOUND AND RESIN OBTAINED BY CURING THE POLYMERIZABLE COMPOSITION
  申请人：MITSUI CHEMICALS, INC.

  公开号：EP1482002A1

  公开（公告）日：2004-12-01

  A sulfur-containing compound has a structure represented by formula (1): (wherein R1 represents a hydrogen atom, a reactive terminal group, a straight, branched or cyclic alkyl group having 1 to 10 carbon atoms and a reactive terminal group or its thia derivative thereof, an aryl group, or an aralkyl group; Y represents an oxygen atom, a sulfur atom, a selenium atom, or a tellurium atom; R represents a substituted or unsubstituted bivalent hydrocarbon group having 1 to 10 carbon atoms, which may be thianated; n represents an integer of 0 to 3; X1 is substituted for any one of groups R2 to R7 of a partial structure represented by formula (2) in which the groups R2 to R7 other than the group substituted by X1 are independently a hydrogen atom or a substituted or unsubstituted monovalent hydrocarbon group having 1 to 10 carbon atoms; and R1 is not a group having a (meth)acryl group when Y is an oxygen atom.) The compound has a high refractive index and high Abbe's number, and produces a resin having excellent impact resistance.

  含硫化合物具有由式(1)表示的结构： (其中 R1 代表氢原子、活性末端基团、具有 1 至 10 个碳原子的直链、支链或环状烷基和活性末端基团或其噻吩衍生物、芳基或芳烷基；Y 代表氧原子、硫原子、硒原子或碲原子；R 代表具有 1 至 10 个碳原子的取代或未取代的二价烃基，可被噻烷化；n 代表 0 至 3 的整数；X1 被式(2)所代表的部分结构的基团 R2 至 R7 中的任一个基团取代，其中除被 X1 取代的基团外，R2 至 R7 独立地为氢原子或具有 1 至 10 个碳原子的取代或未取代的一价烃基；当 Y 为氧原子时，R1 不是具有(甲基)丙烯酰基的基团。) 该化合物具有高折射率和高阿贝数，可制成具有优异抗冲击性的树脂。
• POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL
  申请人：Mitsui Chemicals, Inc.

  公开号：EP1988109A1

  公开（公告）日：2008-11-05

  A polymerizable composition for polythiourethane optical materials comprising a compound represented by the general formula (1),         M(L)n     (1) wherein, in the formula, M is Al, Fe, Cu, Zn, Zr or Bi; L is a dithiocarbamic acid group, a sulfonic acid group, a mono- or di-alkyl phosphoric acid ester group, a substituted acetylacetonato group or a halogen; and n is an integer of 1 to 5, one or two or more isocyanates selected from the group consisting of isocyanate compounds and isothiocyanate compounds, and one or two or more active hydrogen compounds each having a mercapto group. The compounds represented by the general formula (1) exhibit catalytic activity equal to or superior to that of organotin catalysts having been employed as catalysts for the production of polythiourethane optical materials from the past, and have high safety. Further, the thus obtained polythiourethane resins satisfactorily meet the property requirements for optical materials, in particular, excelling in weather resistance. Therefore, the proposed catalysts are available as novel catalysts replacing the organotin catalysts.

  一种用于聚硫乙烷光学材料的可聚合组合物，由通式 (1) 所代表的化合物组成、 M(L)n (1) 式中，M 是 Al、Fe、Cu、Zn、Zr 或 Bi；L 是二硫代氨基甲酸基团、磺酸基团、单烷基或二烷基磷酸酯基团、取代的乙酰丙酮基团或卤素；n 是 1 至 5 的整数、 一种或两种或多种异氰酸酯，选自异氰酸酯化合物和异硫氰酸酯化合物组成的组，以及 一种或两种或多种活性氢化合物，每种活性氢化合物都带有一个巯基。通式（1）所代表的化合物的催化活性等同于或优于过去用作生产聚硫乙烷光学材料催化剂的有机锡催化剂，而且安全性高。此外，由此获得的聚硫乙烷树脂还能满足光学材料的性能要求，特别是在耐候性方面表现出色。因此，所提出的催化剂可作为新型催化剂替代有机锡催化剂。
• Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material
  申请人：Mitsui Chemicals, Inc.

  公开号：EP2407498A2

  公开（公告）日：2012-01-18

  The polymerizable composition for a polythiourethane optical material of the present invention includes (A) a polymerization catalyst for a polythiourethane optical material, (B) at least one compound selected from an isocyanate compound and an isothiocyanate compound, and (C) a compound containing one or more mercapto groups, wherein said polymerization catalyst for a polythiourethane optical material (A) includes (a1) a zinc compound, and (a4)a compound represented by the following general formula (4).

  本发明的聚硫乙烷光学材料可聚合组合物包括 (A) 聚硫乙烷光学材料聚合催化剂，(B) 至少一种选自异氰酸酯化合物和异硫氰酸酯化合物的化合物，以及 (C) 含有一个或多个巯基的化合物，其中所述聚硫乙烷光学材料聚合催化剂 (A) 包括 (a1) 一种锌化合物，以及 (a4) 一种由下式通式 (4) 表示的化合物。