3-tert-butyl-5-diethylaminomethylsalicylaldehyde hydrochloride | 1073188-05-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-tert-butyl-5-diethylaminomethylsalicylaldehyde hydrochloride
• 英文别名: 3-tert-Butyl-5-diethylaminomethylsalicylaldehyde hydrochloride；3-tert-butyl-5-(diethylaminomethyl)-2-hydroxybenzaldehyde;hydrochloride
• CAS: 1073188-05-2
• 化学式: C₁₆H₂₅NO₂*ClH
• 分子量: 299.841
• InChiKey: WCDLPFKBZJCSMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.77
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-tert-butyl-5-diethylaminomethylsalicylaldehyde hydrochloride 在 sodium methylate 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 24.5h， 生成 N,N'-bis(3-tert-butyl-5-(N-benzyl-N,N-diethylaminomethyl)salicylidene)cyclohexane-1,2-diamine dibromide
  参考文献：
  名称：

  用于环状碳酸酯合成及其固定化的单组分双金属铝（salen）基催化剂

  摘要：

  描述了单组分双金属μ-氧铝（salen）络合物作为高活性催化剂从末端环氧化物合成环状碳酸酯的进展。所得的均相催化剂在室温和一个大气压下用于间歇反应中。催化剂也已经固定在各种载体材料上，并用于与环氧乙烷和环氧丙烷的间歇反应或气相流反应中。在间歇和流动反应中都研究了催化剂的寿命，失活和再活化，并且已经证明，电站烟道气中存在的杂质中，只有三氧化硫 使催化剂失活，且浓度为 三氧化硫 如果存在于烟道气中，则这种失活将需要催化剂暴露于烟道气中超过一年。

  DOI：

  10.1039/c0dt01196g
• 作为产物：
  描述：

  二乙胺 、 3-叔丁基-5-(氯甲基)-2-羟基苯甲醛 以 乙腈 为溶剂， 以77%的产率得到3-tert-butyl-5-diethylaminomethylsalicylaldehyde hydrochloride
  参考文献：
  名称：

  用于环状碳酸酯合成及其固定化的单组分双金属铝（salen）基催化剂

  摘要：

  描述了单组分双金属μ-氧铝（salen）络合物作为高活性催化剂从末端环氧化物合成环状碳酸酯的进展。所得的均相催化剂在室温和一个大气压下用于间歇反应中。催化剂也已经固定在各种载体材料上，并用于与环氧乙烷和环氧丙烷的间歇反应或气相流反应中。在间歇和流动反应中都研究了催化剂的寿命，失活和再活化，并且已经证明，电站烟道气中存在的杂质中，只有三氧化硫 使催化剂失活，且浓度为 三氧化硫 如果存在于烟道气中，则这种失活将需要催化剂暴露于烟道气中超过一年。

  DOI：

  10.1039/c0dt01196g

文献信息

• One-component catalysts for cyclic carbonate synthesis
  作者：Jaisiel Meléndez、Michael North、Pedro Villuendas

  DOI：10.1039/b900180h

  日期：——

  Homogeneous and immobilized one-component catalysts for the conversion of epoxides and carbon dioxide into cyclic carbonates at atmospheric pressure and room temperature have been developed.

  已开发出用于在常压和室温下将环氧化物和二氧化碳转化为环碳酸酯的均相和固定化的一体化催化剂。
• [EN] SYNTHESIS OF CYCLIC CARBONATES<br/>[FR] SYNTHÈSE DE CARBONATES CYCLIQUES
  申请人：UNIV NEWCASTLE

  公开号：WO2009109765A1

  公开（公告）日：2009-09-11

  A dimeric aluminium(salen) catalyst of formula I: herein: Y-Q is CRC1=N or CRC1RC2-NRN1, where RC1, RC2 and RN1 are independently selected from H, halo, optionally substituted C1-20 alkyl, optionally substituted C5-20 aryl, ether and nitro; each of the substituents R1, R2, R3, R4, R5, R6, R7, R8, R9, R10, R11, R12, R13, R14, R15, and R16, is independently selected from H, halo, optionally substituted C1-20 alkyl, optionally substituted C5-20 aryl, optionally substituted C3-20 heterocyclyl, ether and nitro; X1 and X2 are independently either (i) a C2-5 alkylene chain, which is optionally substituted by one or more groups selected from C1-4 alkyl and C5-7 aryl, or a C1-3 bisoxyalkylene chain, which is optionally substituted by one or more groups selected from C1-4 alkyl and C5-7 aryl or (ii) represent a divalent group selected from C5-7 arylene, C5-7 cyclic alkylene and C3-7 heterocyclylene, which may be optionally substituted; (i) (a) at least one of R1, R2, R3, R4, R5, R6, R7, R8, R9, R10, R11, R12, R13, R14, R15, and R16 is selected from L-A, where L is a single bond or a C1-10 alkylene group and A is an ammonium group paired with a counterion selected from Cl, Br and I; and/or (b) at least one of X1 and X2 is a divalent C3-7 heterocyclene group, containing a ring atom which is a quaternary nitrogen atom paired with a counterion selected from Cl, Br and I; and/or (c) at least one of X1 and X2 is a C2-5 alkylene chain or a C1-3 bisoxyalkylene chain, substituted by a group -Q-L-A, where Q is either -C(=O)-O-, -C(=O)-NH-, or a single bond; and/or (ii) (a) one of R1, R2, R3, R4, R5, R6, R7, R8, R9, R10, R11, R12, R13, R14, R15, and R16 is L-A', where L is as defined above and A' is a ammonium linking group bound to a solid support and paired with a counterion selected from Cl, Br and I; or (b) one of X1 and X2 is a divalent C3-7 heterocyclene group, containing a ring atom which is a quaternary nitrogen forming part of an ammonium linking group bound to a solid support and paired with a counterion selected from Cl, Br and I; or (c) one of X1 and X2 is a C2-5 alkylene chain or a C1-3 bisoxyalkylene chain, substituted by a group -Q-L-A'.

  一种二聚铝（salen）催化剂的化学式I：在此处：Y-Q是CRC1=N或CRC1RC2-NRN1，其中RC1、RC2和RN1分别独立选择自H、卤素、可选择性取代的C1-20烷基、可选择性取代的C5-20芳基、醚和硝基；R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12、R13、R14、R15和R16中的每一个取代基都是独立选择自H、卤素、可选择性取代的C1-20烷基、可选择性取代的C5-20芳基、可选择性取代的C3-20杂环烷基、醚和硝基；X1和X2独立地是（i）C2-5烷基链，可选择性地通过一个或多个来自C1-4烷基和C5-7芳基的基团取代，或者是C1-3双氧烷基链，可选择性地通过一个或多个来自C1-4烷基和C5-7芳基的基团取代；或者（ii）代表可选择性取代的C5-7芳基、C5-7环烷基和C3-7杂环烷基中选取的二价基团；（i）（a）R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12、R13、R14、R15和R16中至少一个选择自L-A，其中L是单键或C1-10烷基基团，A是与Cl、Br和I中选取的对离子配对的铵基；和/或（b）X1和X2中至少一个是含有一个环原子为季氮原子的三价C3-7杂环烷基团，配对的对离子为Cl、Br和I；和/或（c）X1和X2中至少一个是由基团-Q-L-A取代的C2-5烷基链或C1-3双氧烷基链，其中Q是-E(=O)-O-、-E(=O)-NH-或单键；和/或（ii）（a）R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12、R13、R14、R15和R16中的一个是L-A'，其中L如上所定义，A'是与Cl、Br和I中选取的对离子配对的铵基固定在固体支撑上；或者（b）X1和X2中的一个是含有一个环原子为季氮原子构成铵基固定在固体支撑上的三价C3-7杂环烷基团，配对的对离子为Cl、Br和I；或者（c）X1和X2中的一个是由基团-Q-L-A'取代的C2-5烷基链或C1-3双氧烷基链。
• SYNTHESIS OF CYCLIC CARBONATES
  申请人：North Michael

  公开号：US20100130752A1

  公开（公告）日：2010-05-27

  A process for the production of cyclic carbonates comprising contacting an epoxide with carbon dioxide in the presence of a dimeric aluminium(salen) catalyst, and a co-catalyst capable of supplying Y − , where Y is selected from Cl, Br and I, where the dimeric aluminium(salen) catalyst is of formula I:

  一种制备环状碳酸酯的工艺，包括在二聚铝（salen）催化剂和能够提供Y−（其中Y选自Cl、Br和I）的共催化剂存在下，将环氧化物与二氧化碳接触，其中二聚铝（salen）催化剂的化学式为I：
• SYNTEHSIS OF CYCLIC CARBONATES
  申请人：UNIVERSITY OF NEW CASTLE UPON TYNE

  公开号：US20130317237A1

  公开（公告）日：2013-11-28

  A dimeric aluminium(salen) catalyst of formula I: wherein: (a) at least one R group is selected from L-A, and/or (b) at least one of X group is a divalent C3-7 heterocyclene group, containing a ring atom which is a quaternary nitrogen atom paired with a counterion selected from Cl, Br and I; and/or (c) at least one X group is a C2-5 alkylene chain or a C1-3 bisoxyalkylene chain, substituted by a group -Q-L-A; and/or (ii) (a) one R group is L-A′, or (b) one X group is a divalent C3-7 heterocyclene group, containing a ring atom which is a quaternary nitrogen forming part of an ammonium linking group bound to a solid support and paired with a counterion selected from Cl, Br and I; or (c) one X group is a C2-5 alkylene chain or a C1-3 bisoxyalkylene chain, substituted by a group -Q-L-A′.

  式I的二聚铝(salen)催化剂: 其中: (a) 至少一个R基团选自L-A，和/或 (b) 至少一个X基团是一个二价C3-7杂环烃基团，含有一个环原子，该环原子是一个季铵氮原子，与Cl、Br和I中选择的一个计数离子成对; 和/或 (c) 至少一个X基团是一个C2-5烷基链或C1-3双氧烷基链，被一个-Q-L-A基团取代; 和/或 (ii) (a) 一个R基团是L-A'，或(b) 一个X基团是一个二价C3-7杂环烃基团，含有一个环原子，该环原子是一个与固体支撑物相结合的铵连接基团的季铵氮原子，并与Cl、Br和I中选择的一个计数离子成对; 或(c) 一个X基团是一个C2-5烷基链或C1-3双氧烷基链，被一个-Q-L-A'基团取代。
• Synthesis of cyclic carbonates
  申请人：UNIVERSITY OF NEW CASTLE UPON TYNE

  公开号：US09273024B2

  公开（公告）日：2016-03-01

  A dimeric aluminum(salen) catalyst of formula I: wherein: (a) at least one R group is selected from L-A, and/or (b) at least one of X group is a divalent C3-7 heterocyclene group, containing a ring atom which is a quaternary nitrogen atom paired with a counterion selected from Cl, Br and I; and/or (c) at least one X group is a C2-5 alkylene chain or a C1-3 bisoxyalkylene chain, substituted by a group -Q-L-A; and/or (ii) (a) one R group is L-A′, or (b) one X group is a divalent C3-7 heterocyclene group, containing a ring atom which is a quaternary nitrogen forming part of an ammonium linking group bound to a solid support and paired with a counterion selected from Cl, Br and I; or (c) one X group is a C2-5 alkylene chain or a C1-3 bisoxyalkylene chain, substituted by a group -Q-L-A′.

  化学式为I的二聚铝(salen)催化剂，其中：(a)至少一个R基团选自L-A，和/或(b)至少一个X基团是含有一个环原子的二价C3-7杂环基团，该环原子是与Cl、Br和I中选择的一个对离子成对的季铵氮原子；和/或(c)至少一个X基团是C2-5烷基链或C1-3双氧烷基链，被-Q-L-A基团取代；和/或(ii)(a)一个R基团是L-A'，或(b)一个X基团是含有一个环原子的二价C3-7杂环基团，该环原子是与固体支撑物结合的季铵连接基团的一部分，与Cl、Br和I中选择的一个对离子成对；或(c)一个X基团是C2-5烷基链或C1-3双氧烷基链，被-Q-L-A'基团取代。