3-aminobenzaldehyde diethyl acetal | 99052-29-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-aminobenzaldehyde diethyl acetal
• 英文别名: 3-aminobenzaldehyde diethylacetal；3-amino-benzaldehyde diethylacetal；3-Amino-benzaldehyd-diaethylacetal；3-(Diethoxymethyl)aniline
• CAS: 99052-29-6
• 化学式: C₁₁H₁₇NO₂
• 分子量: 195.261
• InChiKey: MKJUIJSACIBEPM-UHFFFAOYSA-N

物化性质

• 沸点：
  278.5±25.0 °C(Predicted)
• 密度：
  1.041±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  44.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-aminobenzaldehyde diethyl acetal 在 盐酸 、 sodium hydride 作用下， 以 四氢呋喃 、 水 、 N,N-dimethyl-d₆-formamide 、 mineral oil 为溶剂， 反应 19.0h， 生成
  参考文献：
  名称：

  玻璃与晶体：竞争性分子间相互作用之间的平衡作用

  摘要：

  氢键可用于晶体工程或设计能够形成非常稳定的玻璃相的化合物。在此，引入了第二种类型的定向非共价相互作用π-π堆积，以建立晶体和玻璃形成过程中两种相互作用类型之间的相互作用。为此目的，合成了两个结合有2,3,4,5,6-五氟苯乙烯基的三甲氧基氨基三嗪衍生物（在三嗪的2位有或没有H键供体）和它们的非氟化类似物，以比较它们的玻璃形成和结晶特性。尽管所有四种化合物均显示出玻璃形成能力，但仅氟化化合物显示出结晶，其动力学受氢键供体基团存在与否的强烈影响。含五氟苯乙烯的衍生物的X射线衍射揭示了与2,3,4,5,6-五氟苯乙烯不同的扩展的π-π堆积相互作用。这些结果与红外光谱测量结果相结合，表明π-π堆叠促进了结晶，而氢键阻止了它的形成，因为π-π堆叠施加了更高的构象约束，从而降低了自由度以及与其他分子发生二次相互作用的可能性。

  DOI：

  10.1021/acs.cgd.6b01567
• 作为产物：
  描述：

  1-(二乙氧基甲基)-3-硝基苯 在 platinum(IV) oxide 、 氢气 作用下， 以 乙酸乙酯 为溶剂， 以83 %的产率得到3-aminobenzaldehyde diethyl acetal
  参考文献：
  名称：

  靶向线粒体的新型生物相容性 β-磷酸化线性硝酮：对凋亡细胞的保护作用

  摘要：

  通过嫁接带有末端吡啶、四乙基铵或小檗碱阳离子的不同脂肪族接头，合成 13 N-亚苄基-1-二乙氧基磷酰基-1-甲基乙胺N-氧化物衍生物，从而扩展了靶向 线粒体的硝酮类药物的所有成分。通过探索一系列物理化学、生化和生物学特性，可以选择两种新型命中硝酮，它们可以作为活性氧相关线粒体研究中的有用探针。

  DOI：

  10.1002/cbic.202200749

文献信息

• Polypeptide and protein derivatives and process for their preparation
  申请人：——

  公开号：US20040081660A1

  公开（公告）日：2004-04-29

  Protein and polypeptid derivatives and th ir salts are claimed characteriz d in that a prot in or polypeptide is conjugated via an int rmediat grouping containing at least one radical of the formula —C(R)═N— (or —N═C(R)—) or —CH(R)—NH— (or —NH—CH(R)—), wherein R is hydrogen or a hydrocarbon residue which may be substituted, with the same or a different protein or polypeptide, with a reporter group or a cytotoxic agent as well as a process for their preparation and the novel intermediates therefor.

  本发明涉及蛋白质和多肽衍生物及其盐，其特征在于通过至少含有一个公式为—C（R）═N—（或—N═C（R）—）或—CH（R）—NH—（或—NH—CH（R）—）的中间基团与相同或不同的蛋白质或多肽结合，以及将报告基团或细胞毒性剂与其替代的氢或可被替代的碳氢残基的蛋白质或多肽结合的方法和新的中间体。
• Certain unsymmetrical quinolinyl ethers having anti-inflammatory and
  申请人：USV Pharmaceutical Corporation

  公开号：US04794188A1

  公开（公告）日：1988-12-27

  Compounds of the formula: Ar.sub.1 -X-Ar-Z-(R).sub.n' and salts thereof, wherein Ar.sub.1 is a nitrogen, sulfur or oxygen heterocyclic ring; Ar is a phenyl ring or a nitrogen, oxygen or sulfur heterocyclic ring; Ar and Ar.sub.1 may be fully substituted or less than fully substituted with H, CH.sub.3, lower alkyl, aryl, aralkyl, halo, hydroxy, lower alkoxy, CF.sub.3, carboxy, alkylcarboxy, arylcarboxy, alkylcarbalkoxy, alkanoyl, formyl, oxo, nitrilo, amino, aminoalkyl, alkylamine, carboxamide, aryloxy, nitro, sulfonyl, sulfonamide, thio, alkylthio, hydroxyalkyl or oxyalkylcarbalkoxy; X= ##STR1## of up to 2 carbon atoms in the principal chain and up to a total of 4 carbon atoms, ##STR2## Z is an alkylene chain containing up to 10 carbon atoms in the principal chain and a total of up to 12 carbon atoms and from 0 to 2 double bonds and the said alkylene chain may be attached to Ar through an oxygen, sulfur or amino nitrogen atom, and when n'=2, one of the R substituents may be halogen on an omega carbon of the alkylene chain Z; when n'=1, R is a substituent attached to one of the carbon atoms of Z selected from the group consisting of .dbd.O, OR.sub.3, SR.sub.3, N(R.sub.2).sub.2 and R.sub.1, --COR.sub.4 and when n'=2 one R is previously defined and the additional R is a substituent attached to one of the carbon atoms of Z selected from the group consisting of .dbd.O, OR.sub.3, SR.sub.3, N(R.sub.2).sub.2, --COR.sub.4, lactone and halo; R.sub.1 is H or CH.sub.3 ; R.sub.2 is H, lower alkyl, aryl or aralkyl; R.sub.3 is H, lower alkyl, lower alkanoyl, aryl, aralkyl or substituted aryl in which the substituent is halo, lower alkyl or lower alkoxy; R.sub.4 is OR.sub.2 or N(R.sub.2).sub.2 ; n=0 or 1; n'=1 to 7; and n"=0, 1 or 2.

  该化合物的化学式为：Ar.sub.1-X-Ar-Z-(R).sub.n'及其盐，其中Ar.sub.1是氮、硫或氧杂环环；Ar是苯环或氮、氧或硫杂环环；Ar和Ar.sub.1可以完全或部分取代为H、CH.sub.3、低级烷基、芳基、芳基烷基、卤素、羟基、低级烷氧基、CF.sub.3、羧基、烷基羧基、芳基羧基、烷基羧基烷氧基、烷酰基、甲酰基、氧代、亚氨基、氨基烷基、烷基胺、羧酰胺、芳氧基、硝基、磺酰基、磺酰胺、硫代、烷基硫代、羟基烷基或氧基烷基羧酰基；X= ##STR1## 最多有2个碳原子在主链上和总共4个碳原子， ##STR2## Z是一个含有最多10个碳原子的主链和总共最多12个碳原子和0到2个双键的烷基链，该烷基链可以通过氧、硫或氨基氮原子连接到Ar上，当n'=2时，Z的ω碳上的一个R取代基可以是卤素；当n'=1时，R是一个连接到Z的碳原子中所选的一种取代基，所选的一种取代基来自于羰基、OR.sub.3、SR.sub.3、N(R.sub.2).sub.2和R.sub.1，--COR.sub.4，当n'=2时，一个R已经被定义，另一个R是连接到Z的碳原子中所选的一种取代基，所选的一种取代基来自于羰基、OR.sub.3、SR.sub.3、N(R.sub.2).sub.2、--COR.sub.4、内酯和卤素；R.sub.1是H或CH.sub.3；R.sub.2是H、低级烷基、芳基或芳基烷基；R.sub.3是H、低级烷基、低级烷酰基、芳基、芳基烷基或取代芳基，其中取代基是卤素、低级烷基或低级烷氧基；R.sub.4是OR.sub.2或N(R.sub.2).sub.2；n=0或1；n'=1到7；n"=0、1或2。
• One ring to rule them all: effect of aryl substitution on glass-forming ability in mexylaminotriazine molecular glasses
  作者：Rukan N. Eren、André Plante、Alexandre Meunier、Audrey Laventure、Yishen Huang、Jennie G. Briard、Kelvin J. Creber、Christian Pellerin、Armand Soldera、Olivier Lebel

  DOI：10.1016/j.tet.2012.09.103

  日期：2012.12

  Mexylaminotriazines are an exciting new class of small molecules capable of forming glassy phases (molecular glasses) that have shown outstanding glass-forming properties and resistance to crystallization. The effect of the structure of the 'headgroup' at the 2-position of the triazine ring on glass-forming properties has been studied, but the role of the arylamino substituents is unclear, though it has been shown that one of the aryl groups can be substituted with other aryl groups without loss of glass-forming ability. Herein, a library of mexylaminotriazine derivatives with various arylamino and cycloalkylamino groups has been synthesized and characterized. It was found that glass-forming ability is tolerant to a wide range of substituents, with all the compounds reported being capable of forming glassy phases, and only one compound crystallizing upon heating. On the other hand, the structure of the ancillary group has a profound impact on the glass transition temperatures (T-g) of the compounds, with values ranging from 52 to 131 degrees C having been obtained. Several trends between substitution pattern and T-g were observed. Crown Copyright (C) 2012 Published by Elsevier Ltd. All rights reserved.
• Haworth; Lapworth, Journal of the Chemical Society, 1922, vol. 121, p. 83
  作者：Haworth、Lapworth

  DOI：——

  日期：——
• 399. Preparation of m-dimethylaminobenzaldehyde. Part I
  作者：A. C. Bottomley、Wesley Cocker、Phyllis Nanney

  DOI：10.1039/jr9370001891

  日期：——