4-(己基氨基)苯酚 | 639478-80-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 4-(己基氨基)苯酚
• 英文名称: N-(4-hydroxyphenyl)hexylamine
• 英文别名: p-hexylaminophenol；Phenol, 4-(hexylamino)-；4-(hexylamino)phenol
• CAS: 639478-80-1
• 化学式: C₁₂H₁₉NO
• 分子量: 193.289
• InChiKey: WKZUDDNCUOCRND-UHFFFAOYSA-N

物化性质

• 熔点：
  75 °C
• 沸点：
  331.9±25.0 °C(Predicted)
• 密度：
  1.018±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  对羟基苯甲酰氯 、 4-(己基氨基)苯酚 在 碳酸氢钠 作用下， 以 四氢呋喃 、 水 为溶剂， 以81 %的产率得到N-hexyl-4-hydroxy-N-(4-hydroxyphenyl)benzamide
  参考文献：
  名称：

  ジヒドロキシアニリド化合物及びその製造方法

  摘要：

  【課題】液晶ポリマーの製造原料として有用なジヒドロキシアニリド化合物及びその効率的な製造方法を提供する。【解決手段】ガスクロマトグラフィーにて測定した純度が８５％以上である、下記式（１）で示されるジヒドロキシアニリド化合物。さらに特定のカルボン酸クロリドと、特定のヒドロキシ基を有するアミン又はその塩とを、アルカリ金属炭酸水素塩を用い、環状エーテル及び水の混合溶媒で反応させる、式（１）で示されるジヒドロキシアニリド化合物の製造方法。 JPEG 2023077408000060.jpg 34 75 ［式中、Ｒ１はアルキル基を表す。環Ａ及び環Ｂは、独立に、Ｃ、Ｎ、Ｏ、及びＳからなる群より選ばれる原子を環構成原子とする、シクロアルカン、単環式芳香環、多環式芳香環及び縮環式芳香環からなる群より選ばれる環を表し、これらの環は、置換基を有していてもよい。ｎは０又は１を表す。］【選択図】なし

  公开号：

  JP2023077408A
• 作为产物：
  描述：

  正己胺 在 tris-(dibenzylideneacetone)dipalladium(0) lithium hexamethyldisilazane 、 2-二-叔丁膦基-2',4',6'-三异丙基联苯 作用下， 以 四氢呋喃 为溶剂， 反应 46.08h， 以94%的产率得到4-(己基氨基)苯酚
  参考文献：
  名称：

  单齿膦为杂芳族卤化物/胺和（H）N-杂环的Pd催化的CN键形成反应提供了高活性的催化剂。

  摘要：

  DOI：

  10.1002/anie.200601612

文献信息

• N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, And Composition For Transfer And Storage Of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound
  申请人：Shinohata Masaaki

  公开号：US20110133121A1

  公开（公告）日：2011-06-09

  The present invention is a method for producing an N-substituted carbamic acid ester derived from an organic amine from an organic amine, a carbonic acid derivative and a hydroxy composition containing one or more types of hydroxy compounds, wherein the organic amine, the carbonic acid derivative and the hydroxy composition are reacted using a urethane production reaction vessel provided with a condenser, a gas containing the hydroxy composition, the compound having the carbonyl group derived from the carbonic acid derivative, and an ammonia formed as a by-product in the reaction, is introduced into the condenser provided in the urethane production reaction vessel, and the hydroxy composition and the compound having the carbonyl group derived from the carbonic acid derivative are condensed, and wherein a stoichiometric ratio of a hydroxy compound contained in the condensed hydroxy composition to the condensed compound having the carbonyl group derived from the carbonic acid derivative is 1 or more, and a ratio of number of carbonyl groups (—C(═O)—) contained in the compound having the carbonyl group derived from the carbonic acid derivative and number of ammonia molecules contained in the ammonia recovered as a gas from the condenser is 1 or less.

  本发明涉及一种从有机胺、碳酸衍生物和含有一种或多种羟基化合物中制得的N-取代氨基甲酸酯的制备方法，其中使用一种含有冷凝器的脲类生产反应容器反应有机胺、碳酸衍生物和羟基化合物，将含有羟基化合物的气体、来自碳酸衍生物衍生的含有羰基基团的化合物、以及在反应中形成的氨气体引入到脲类生产反应容器中的冷凝器中，使羟基化合物和含有羰基基团的化合物冷凝，其中在冷凝的羟基化合物中所含有的羟基化合物与冷凝的含有羰基基团的化合物中所含有的羰基基团的化合物的比例为1或更多，而且在从冷凝器中回收的氨气体中所含有的羰基基团（—C(═O)—）数与氨分子数的比例为1或更少。
• N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, and Composition for Transfer and Storage of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound
  申请人：Asahi Kasei Chemicals Corporation

  公开号：US20140194650A1

  公开（公告）日：2014-07-10

  The present invention is a method for producing an N-substituted carbamic acid ester derived from an organic amine from an organic amine, a carbonic acid derivative and a hydroxy composition containing one or more types of hydroxy compounds, wherein the organic amine, the carbonic acid derivative and the hydroxy composition are reacted using a urethane production reaction vessel provided with a condenser, a gas containing the hydroxy composition, the compound having the carbonyl group derived from the carbonic acid derivative, and an ammonia formed as a by-product in the reaction, is introduced into the condenser provided in the urethane production reaction vessel, and the hydroxy composition and the compound having the carbonyl group derived from the carbonic acid derivative are condensed, and wherein a stoichiometric ratio of a hydroxy compound contained in the condensed hydroxy composition to the condensed compound having the carbonyl group derived from the carbonic acid derivative is 1 or more, and a ratio of number of carbonyl groups (—C(═O)—) contained in the compound having the carbonyl group derived from the carbonic acid derivative and number of ammonia molecules contained in the ammonia recovered as a gas from the condenser is 1 or less.

  本发明是一种从有机胺、碳酸酯衍生物和含有一种或多种羟基化合物中制备N-取代的氨基甲酸酯的方法，其中利用一种尿素生产反应容器反应有机胺、碳酸酯衍生物和羟基化合物，该反应容器配有冷凝器，将含有羟基化合物的气体、由碳酸酯衍生物产生的含有羰基基团的化合物以及在反应中生成的氨引入到尿素生产反应容器中的冷凝器中，将羟基化合物和含有羰基基团的碳酸酯衍生物冷凝，其中在冷凝的羟基化合物中所含的羟基化合物的化学计量比与所冷凝的含有羰基基团的化合物的化学计量比为1或更多，而且所含有羰基基团的化合物中所含的羰基基团（-C(═O)-）的数量与从冷凝器中回收的氨分子数量的比率为1或更小。
• Process for preparing N-alkylaminophenols
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0218350A1

  公开（公告）日：1987-04-15

  A process for preparing an N-alyklaminophenol represented by the formula (III): wherein R, represents a hydrogen atom or an alkyl group having from 1 to 6 carbon atoms; and R2 represents an alkyl group having from 1 to 6 carbon atoms, which comprises reacting an aminophenol represented by the formula (I): wherein R1 is as defined above, with an alkyl halide represented by the formula (II): wherein R2 is as defined above; and X represents a halogen atom, at 80°-120 °C at 3-30 kg/cm2G pressure in an autoclave in the presence of water under heat and pressure, using ammonia as an acid scavenger, 1-2 mols of alkyl halide are used per mol of alkyl group and 1-3 mols ammonia per mol compound (I). The ammonia is preferably introduced continuously while the pH is 4-10, and with 0.05-4 parts by wt. water per wt. of aminophenol.

  一种制备由式(III)代表的N-烯丙基氨基苯酚的工艺： 其中 R 代表氢原子或具有 1 至 6 个碳原子的烷基；R2 代表具有 1 至 6 个碳原子的烷基，该工艺包括使式（I）代表的氨基苯酚与式（II）代表的烷基卤化物反应： 其中 R1 如上定义，与式 (II) 所代表的烷基卤化物反应： 其中 R2 如上所定义；X 代表卤素原子，在 80°-120 °C，3-30 kg/cm2G 压力下，在有水存在的高压釜中，在加热和加压条件下，使用氨作为酸清除剂、 每摩尔烷基使用 1-2 摩尔烷基卤化物，每摩尔化合物（I）使用 1-3 摩尔氨。 氨水最好在 pH 值为 4-10 时连续加入，每重量份氨基苯酚加入 0.05-4 重量份的水。
• Process for preparing N-alkylaminophenols and N,N-dialkylaminophenols
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0427572A1

  公开（公告）日：1991-05-15

  To prepare an N-alkylaminophenol an aminophenol is subjected to reductive alkylation with an aliphatic or cyclic aldehyde or ketone in the presence of an organic solvent (e.g. an alcohol), hydrogen, and a reduction catalyst comprising platinum or palladium and at least one metal element selected from the IB, IIB, IVB, VB and VIB group of the Periodic Table, either supported on activated carbon, or which has been contact treated with a solution containing at least one said metal element. The preferred amount of the metal in the catalyst is 0.001 to 0.5 part by weight. The preferred amount of the catalyst is 0.0001 to 0.02 part by weight as Pt or Pd per part of the aminophenol. The catalyst can be recovered and reused. The preparation of the catalyst is described.

  为制备 N-烷基氨基苯酚，氨基苯酚在有机溶剂（如醇）、氢和还原催化剂的存在下，与脂族或环族醛或酮进行还原烷基化反应，还原催化剂由铂或钯和至少一种选自元素周期表 IB、IIB、IVB、VB 和 VIB 族的金属元素组成。 按重量计，催化剂中的金属量最好为 0.001 至 0.5 份。催化剂的优选量为每份氨基苯酚含 0.0001 至 0.02 份重量的铂或钯。 催化剂可以回收和重复使用。 催化剂的制备方法已作说明。
• Production of aminophenols
  申请人：Ciba Specialty Chemicals Holding Inc.

  公开号：EP0831081A1

  公开（公告）日：1998-03-25

  A method of producing N,N-disubstituted aminophenols of the general formula wherein R1 and R2 are the same or different and each represents a saturated or unsaturated aliphatic hydrocarbyl, cycloalkyl, aralkyl, the phenyl ring of which may be further substituted, alkoxyalkyl, or a cycloalkylalkyl, except that R1 and R2 are not simultaneously methyl and R' represents hydrogen, halogen, nitro, cyano, alkyl or alkoxy, which comprises reacting an aminophenol of general formula wherein R3 represents hydrogen or R1, and R' is as defined above, with an organic halide species of general formula R2X wherein R2 is as defined above and X is halogen under aqueous acidic conditions with the periodic addition of an acid trapping agent in such a way that continuous monitoring of pH is not required.

  一种生产通式为 N,N-二取代氨基苯酚的方法 其中 R1 和 R2 相同或不同，各自代表饱和或不饱和脂肪族烃基、环烷基、芳烷基、 其中 R1 和 R2 不同时为甲基，R'代表氢、卤素、硝基、氰基、烷基或烷氧基。 其中 R3 代表氢或 R1，R'如上定义，与通式 R2X 的有机卤化物（其中 R2 如上定义，X 为卤素）在酸性水溶液条件下反应，并定期添加酸捕捉剂，从而无需持续监测 pH 值。