1,3-二丁氧基苯 | 56106-38-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1,3-二丁氧基苯
• 英文名称: 1,3-dibutoxybenzene
• 英文别名: 1,3-di-(n-butoxy)benzene
• CAS: 56106-38-8
• 化学式: C₁₄H₂₂O₂
• 分子量: 222.327
• InChiKey: OIPUSGXLZPNABH-UHFFFAOYSA-N

物化性质

• 熔点：
  118-119 °C
• 沸点：
  120-121 °C(Press: 4 Torr)
• 密度：
  0.940±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  16
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,3-二丁氧基苯 在 六甲基磷酰三胺 、 sodium hydroxide 、 双氧水 、 一氯化碘 、 二异丁基氢化铝 作用下， 以 四氢呋喃 、 水 、 溶剂黄146 、 甲苯 为溶剂， 生成 1,3-dibutoxy-4,6-bis(isothiocyanatomethyl)benzene
  参考文献：
  名称：

  间环芳基环硫脲的合成及阴离子结合能力

  摘要：

  合成了具有两个硫脲基团的环芳烃，并通过滴定法使用 1 H-NMR 光谱检测了它们的阴离子结合能力。按照 H2PO4− > CH3COO− > Cl− > HSO4− > Br− 的一般顺序观察到预先组织的环状受体的强和选择性阴离子结合。

  DOI：

  10.1246/cl.1998.835
• 作为产物：
  描述：

  正溴丁烷 、 间苯二酚 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 9.0h， 生成 1,3-二丁氧基苯
  参考文献：
  名称：

  Synthesis and characterization of a luminescent and fully rigid tetrakisimidazolium macrocycle

  摘要：

  通过直接[2+2]环化，首次合成了一个完全刚性的四咪唑大环，收率很高。通过核磁共振、质谱和 X 射线衍射分析对其结构进行了表征。这种阳离子荧光大环具有四个氢键供体，指向内部的大而硬的空腔，可用作阴离子受体、荧光材料和超分子组装的构件。

  DOI：

  10.1039/c3cc38914f

文献信息

• DERIVATIVE OF NOVEL POLYHYDROXY AROMATIC COMPOUND AND USE THEREOF
  申请人：RNS CO.,LTD.

  公开号：US20150283051A1

  公开（公告）日：2015-10-08

  Provided is a skin whitening composition with excellent whitening effects, specifically, a derivative or a polyhydroxy cyclic compound represented by Formula I or a pharmacologically acceptable salt thereof, comprising; wherein is derived from an aromatic cyclic compound, C n , C n+1 and C n+2 are three neighboring carbon atoms present in the aromatic cyclic compound, wherein n is a positive integer, R 1 and R 2 are each a saturated or unsaturated straight or branched alkyl or acyl group having 3 to 12 carbon atoms, and R 3 , R 4 , R 5 and R 6 are each independently at least one substituent selected from hydrogen, alkyl, alkoxy, acyloxy, acyloxymethyl, oxo, hydroxy, vinyl, nitrile, carboxaldehyde, carbonitrile and aldehyde.

  提供一个具有优异美白效果的皮肤美白组合物，具体为公式I所表示的衍生物或多元醇环化合物或其药理上可接受的盐，其中 所述的芳香族环化合物，C n ，C n+1 和C n+2 是存在于芳香族环化合物中的三个相邻的碳原子，其中n是正整数，R 1 和R 2 分别是具有3至12个碳原子的饱和或不饱和直链或支链烷基或酰基，而R 3 ，R 4 ，R 5 和R 6 各自独立地选自氢、烷基、烷氧基、酰氧基、酰氧甲基、氧代、羟基、乙烯基、腈、羧醛、碳腈和醛中至少一个取代基。
• Synthesis and Anion-Selective Complexation of Cyclophane-Based Cyclic Thioureas
  作者：Shin-ichi Sasaki、Masaaki Mizuno、Koichiro Naemura、Yoshito Tobe

  DOI：10.1021/jo991237k

  日期：2000.1.1

  Cyclic thiourea derivatives having three different types of cyclophane structure, ortho-meta, meta-meta, and meta-para, and a lariat-type thiourea, were synthesized, and their anion-binding ability was examined. The association constants for the complexation between the receptors and several anions in DMSO-d(6) were measured by the titration method using (1)H NMR spectroscopy. All receptors, except

  合成了具有邻位，间位，间位和间对位三种环烷结构的环状硫脲衍生物和套索型硫脲，并研究了它们的阴离子结合能力。使用（1）H NMR光谱通过滴定法测量DMSO-d（6）中受体与几种阴离子之间的络合缔合常数。除间-对环芳基外，所有受体均表现出与磷酸二氢根阴离子的选择性结合，该结合力强于无环参考化合物。与不具有第三结合位点的环状受体相比，套索型受体甚至更牢固地结合阴离子。
• Synthesis of Aminobenzopyranoxanthenes with Nitrogen-Containing Fused Rings
  作者：Natsumi Fukino、Shinichiro Kamino、Minami Takahashi、Daisuke Sawada

  DOI：10.1021/acs.joc.7b02290

  日期：2017.12.15

  An efficient and practical method for the synthesis of a variety of aminobenzopyranoxanthenes (ABPXs) with different nitrogen-containing fused rings was developed. On the basis of the mechanistic studies of the formation of the xanthene framework, the presented methodology was developed to facilitate access to previously inaccessible asymmetric ABPXs.

  开发了一种高效实用的合成具有不同含氮稠环的多种氨基苯并吡喃并氧杂蒽（ABPXs）的方法。在对the吨框架形成机理的研究的基础上，开发了所提出的方法，以便利于访问以前无法访问的不对称ABPX。
• Alkoxyphenyl-substituted bisacylphosphine oxides
  申请人：Ciba Specialty Chemicals Corporation

  公开号：US05965776A1

  公开（公告）日：1999-10-12

  Alkoxyphenyl-substituted bisacylphosphine oxides of the formula I ##STR1## in which R.sub.1 and R.sub.2 are identical or different and are a radical of the formula II ##STR2## n which R.sub.4 and R.sub.5 independently of one another are C.sub.1 -C.sub.12 alkyl or C.sub.1 -C.sub.12 alkoxy, R.sub.6, R.sub.7 and R.sub.8 independently of one another are hydrogen, C.sub.1 -C.sub.12 alkyl, C.sub.1 -C.sub.12 alkoxy or halogen, and R.sub.3 is a radical of the formula III ##STR3## in which R.sub.9 through R.sub.12 are hydrogen, halogen, alkyl or alkoxy, are suitable for the photopolymerization of compounds containing ethylenically unsaturated double bonds.

  公式I的烷氧基苯基取代的双酰基膦氧化物，其中R1和R2相同或不同，是公式II的基团， 其中R4和R5彼此独立地是C1-C12烷基或C1-C12烷氧基，R6、R7和R8彼此独立地是氢、C1-C12烷基、C1-C12烷氧基或卤素，而R3是公式III的基团， 其中R9至R12是氢、卤素、烷基或烷氧基，适用于含乙烯基不饱和双键化合物的光聚合。
• Process for preparation of alkoxybenzamides and thiazolyl isocyanates
  申请人：Awano Hirokazu

  公开号：US20050143581A1

  公开（公告）日：2005-06-30

  An alkoxybenzamide represented by the general formula (3): (wherein R1, R2, R3, R4, and R5 independently indicate a hydrogen atom, an alkyl group having one to six carbon atoms, or an alkoxy group having one to six carbon atoms; if R3 indicates a hydrogen atom or an alkyl group having one to six carbon atoms, R1 indicates an alkoxy group having one to six carbon atoms and R4 indicates an alkyl or alkoxy group having one to six carbon atoms; two adjacent substituents may be coupled with a cross-linking group to form a ring; R6 indicates a heteroaromatic ring; and A indicates an oxygen atom or a sulfur atom) is produced by reacting an alkoxybenzene represented by the general formula (1): (wherein R1, R2, R3, R4, and R5 are defined above) with an isocyanate represented by the general formula (2): (wherein R6 and A are defined above; and n indicates 1 or 2) in the presence of a Lewis acid. Among isocyanates represented by the general formula (2) is a thiazolyl isocyanate represented by the general formula (5): (wherein R1 indicates a hydrogen atom, a saturated or unsaturated alkyl group having one to six carbon atoms, a haloalkyl group having one to six carbon atoms, an alkoxy group having one to six carbon atoms, an alkoxycarbonyl group, or an acyl group; R2 indicates a hydrogen atom, a halogen atom, a saturated or unsaturated alkyl group having one to six carbon atoms, a haloalkyl group having one to six carbon atoms, an alkoxycarbonyl group having one to six carbon atoms, an acyl group, or a substituted or unsubstituted phenyl group; both R1 and R2 do not indicate a hydrogen atom; and n indicates 1 or 2). This thiazolyl isocyanate is produced from two precursors: an aminothiazole and a carbonyl halide. The present invention can provide a method for producing a high yield of alkoxybenzamide with fewer steps, and can also provide thiazolyl isocyanates, which are useful in the production of ureas, carbamates, and aromatic amides having a thiazole ring.

  通式（3）表示的烷氧基苯甲酰胺：（其中R1、R2、R3、R4和R5独立地表示氢原子、具有1至6个碳原子的烷基或具有1至6个碳原子的烷氧基；如果R3表示氢原子或具有1至6个碳原子的烷基，则R1表示具有1至6个碳原子的烷氧基，R4表示具有1至6个碳原子的烷基或烷氧基；两个相邻的取代基可以与交联基耦合形成环；R6表示杂环芳烃环；A表示氧原子或硫原子），通过在路易斯酸的存在下将通式（1）表示的烷氧基苯与通式（2）表示的异氰酸酯反应而制得：（其中R1、R2、R3、R4、R5、R6和A的定义如上；n表示1或2）。通式（2）表示的异氰酸酯中包括通式（5）表示的噻唑基异氰酸酯：（其中R1表示氢原子、具有1至6个碳原子的饱和或不饱和烷基、具有1至6个碳原子的卤代烷基、具有1至6个碳原子的烷氧基、烷氧羰基、或酰基；R2表示氢原子、卤素原子、具有1至6个碳原子的饱和或不饱和烷基、具有1至6个碳原子的卤代烷基、具有1至6个碳原子的烷氧羰基、酰基或取代或未取代的苯基；R1和R2均不表示氢原子；n表示1或2）。该噻唑基异氰酸酯由两个前体物质产生：氨基噻唑和羰基卤化物。本发明可以提供一种生产高产率烷氧基苯甲酰胺的方法，步骤更少，也可以提供噻唑基异氰酸酯，其在尿素、氨基甲酸酯和带有噻唑环的芳香酰胺的生产中有用。