1-[(己氧基)甲氧基]己烷 | 54815-12-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-[(己氧基)甲氧基]己烷
• 英文名称: 7,9-dioxapentadecane
• 英文别名: bis(hexyloxy)methane；bis-hexyloxy-methane；formaldehyde dihexylacetal；Formaldehyd-dihexylacetal；Bis-hexyloxy-methan；Hexylal；1-[(Hexyloxy)methoxy]hexane；1-(hexoxymethoxy)hexane
• CAS: 54815-12-2
• 化学式: C₁₃H₂₈O₂
• 分子量: 216.364
• InChiKey: SMBRWKSIANXXKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  15
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2909199090

反应信息

• 作为反应物：
  描述：

  二甲醇缩甲醛 、 1-[(己氧基)甲氧基]己烷 在 三氟化硼乙醚 作用下， 反应 5.0h， 以60%的产率得到1-(甲氧基甲氧基)己烷
  参考文献：
  名称：

  Gazizova, L. B.; Imashev, U. B.; Musavirov, R. S., Journal of Organic Chemistry USSR (English Translation), 1981, p. 226 - 231

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(甲氧基甲氧基)己烷 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 36.0h， 以78%的产率得到1-[(己氧基)甲氧基]己烷
  参考文献：
  名称：

  Preparation of formaldehyde and acetaldehyde acetals

  摘要：

  DOI：

  10.1021/jo00327a032

文献信息

• An efficient method for the preparation of dialkoxymethanes from dichloromethane with alcohols catalyzed by a Cu-NHC complex
  作者：Lewu Zhan、Renming Pan、Ping Xing、Biao Jiang

  DOI：10.1016/j.tetlet.2016.07.056

  日期：2016.9

  A facile, rapid and efficient method for the preparation of dialkoxymethanes from dichloromethane with alcohols catalyzed by a Cu-NHC complex is reported. A variety of symmetrical dialkoxymethanes can be prepared under mild condition in excellent yields (up to 98%). The unsymmetrical ether is also obtained in 89% yield from the etherification of p-tolylmethanol and n-butyl chloride catalyzed by ICyCuCl

  报道了一种简便，快速，有效的方法，用于从二氯甲烷与Cu-NHC配合物催化的醇制备二烷氧基甲烷。可以在温和条件下以优异的收率（高达98％）制备多种对称的二烷氧基甲烷。还可以通过ICyCuCl络合物在80°C下催化对甲苯甲醇和正丁基氯的醚化反应，以89％的收率获得不对称醚。该反应提供了在温和条件下以优异收率制备二烷氧基甲烷的新方法。
• Nickel-catalyzed direct synthesis of dialkoxymethane ethers
  作者：Murugan Subaramanian、Abhijit Bera、Bhagavatula L V Prasad、Ekambaram Balaraman

  DOI：10.1007/s12039-017-1339-6

  日期：2017.8

  and aromatic alcohols and provides a benign method for the preparation of symmetrical dialkoxymethanes in good yields (up to 89%). Graphical AbstractSYNOPSIS A facile nickel-catalyzed synthesis of dialkoxymethane ethers from alcohols and paraformaldehyde using inexpensive, commercially available \(\hbox NiBr}_2}\) is reported. The reaction proceeds readily under mild, neutral and solvent-free conditions

  摘要描述了一种在市售的镍（II）盐存在下由醇和多聚甲醛制备二烷氧基甲烷醚（甲醛醚）的简单有效的方法。使用多聚甲醛作为\（\ hbox C} _ 1} \）源，反应在中性，无溶剂条件下容易进行。本策略具有广泛的底物范围，包括脂族醇（伯醇和仲醇）和芳族醇，并提供了良性方法来制备对称二烷氧基甲烷，收率高（高达89％）。 图形概要提要据报道，使用廉价的市售\（\ hbox NiBr} _ 2} \）可以轻松地在镍催化下从醇和低聚甲醛中合成二烷氧基甲烷醚。反应在温和，中性和无溶剂条件下容易进行。
• PROCESS FOR PREPARING AN ALKOXYMETHYL ALKYNYL ETHER COMPOUND HAVING A TERMINAL TRIPLE BOND
  申请人：Shin-Etsu Chemical Co., Ltd.

  公开号：US20210198172A1

  公开（公告）日：2021-07-01

  The present invention provides a process for preparing an alkoxymethyl alkynyl ether compound having a terminal triple bond of the following formula (4): H—C≡C(CH 2 ) a OCH 2 OCH 2 R (4), wherein R represents a hydrogen atom, an n-alkyl group having 1 to 9 carbon atoms, or a phenyl group, and “a” represents an integer of 1 to 10, the method comprising subjecting an alkynol compound having a terminal triple bond of the following formula (1): H—C≡C(CH 2 ) a OH (1), wherein “a” is as defined above, to an alkoxymethylation with a halomethyl alkyl ether compound of the following formula (3): RCH 2 OCH 2 X (3), wherein X represents a halogen atom, and R is as defined above, in the presence of a dialkylaniline compound of the following formula (2): [CH 3 (CH 2 ) b ][CH 3 (CH 2 ) c ]NC 6 H 5 (2), wherein b and c represent, independently of each other, an integer of 0 to 9, to form the alkoxymethyl alkynyl ether compound (4) having a terminal triple bond.

  本发明提供了一种制备具有以下式(4)的末端三键的烷氧甲基炔基醚化合物的方法：H—C≡C(CH2)aOCH2OCH2R (4)，其中R代表氢原子、具有1至9个碳原子的n-烷基基团或苯基，而“a”代表1至10的整数，所述方法包括将具有以下式(1)末端三键的炔醇化合物进行烷氧甲基化，其中H—C≡C(CH2)aOH (1)，其中“a”如上所定义，与具有以下式(3)的卤甲基烷醚化合物进行反应：RCH2OCH2X (3)，其中X代表卤素原子，R如上所定义，在存在以下式(2)的二烷基苯胺化合物的情况下进行，[CH3(CH2)b][CH3(CH2)c]NC6H5(2)，其中b和c独立地代表0至9的整数，以形成具有末端三键的烷氧甲基炔基醚化合物(4)。
• 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。

表征谱图