tris(5-bromo-2-methoxyphenyl)antimony(III) benzene monosolvate | 1352166-68-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: tris(5-bromo-2-methoxyphenyl)antimony(III) benzene monosolvate
• 英文别名: tris(2-methoxy-5-bromophenyl)antimony benzene monosolvate
• CAS: 1352166-68-7
• 化学式: C₆H₆*C₂₁H₁₈Br₃O₃Sb
• 分子量: 757.948
• InChiKey: NBGCSSRUHLTABX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  34.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  27.69
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  邻硝基苯甲酸 、 tris(5-bromo-2-methoxyphenyl)antimony(III) benzene monosolvate 在 H₂O₂ 作用下， 以 乙醚 为溶剂， 以96%的产率得到tris(2-methoxy-5-bromophenyl)bis(2-nitrobenzoato)antimony
  参考文献：
  名称：

  Tris(2-methoxy-5-bromophenyl)antimony bis(2-nitrobenzoate): Synthesis and specific features of the structure

  摘要：

  Tris(5-bromo-2-methoxyphenyl)antimony bis(2-nitrobenzoate) (I) is synthesized by the reaction of tris(5-bromo-2-methoxyphenyl) antimony with 2-nitrobenzoic acid in the presence of hydrogen peroxide (mole ratio 1 : 2 : 1). According to the X-ray diffraction data, the antimony atom has distorted trigonal bipyramidal coordination. The axial angle OSbO is 177.92(11)degrees, equatorial bonds CSbC are 109.23(16)degrees-128.31(16)degrees, and the Sb-O and Sb-C bond lengths are 2.095(3)-2.125(3) and 2.098(4)-2.113(4) angstrom, respectively. A specific feature of the structure of complex I is the presence of intramolecular contacts Sb center dot center dot center dot O(CH3) (2.992-3.175 angstrom along with the interactions Sb center dot center dot center dot O=C (3.039-3.117 angstrom). The structural organization in crystal is due to weak hydrogen bonds N-O center dot center dot center dot H-C, C-O center dot center dot center dot H-C, C-Br center dot center dot center dot H-C.

  DOI：

  10.1134/s1070328411090089
• 作为产物：
  描述：

  三氯化锑 、 5-bromo-2-methoxyphenyllithium 、 苯 以 乙醚 为溶剂， 以85%的产率得到tris(5-bromo-2-methoxyphenyl)antimony(III) benzene monosolvate
  参考文献：
  名称：

  Synthesis of new antimony(III) and bismuth(III) aryl compounds: Crystal and molecular structure of tris(5-bromo-2-methoxyphenyl)antimony

  摘要：

  Tris(5-bromo-2-methoxyphenyl)antimony (I) (yield, 85%) and tris(5-bromo-2-methoxyphenyl)bismuth (II) (yield, 81%) were obtained by reacting 5-bromo-2-methoxyphenyllithium with antimony(III) chloride and bismuth(III) chloride, respectively. According to X-ray diffraction data, the antimony atom in I is highly coordinated. The Sb-C bonds lengths are 2.160(1) , 2.163(1) , and 2.157(2) ; the SbaEuro broken vertical bar O distances are 2.985(1) , 3.051(1) , and 3.052(1) . The CSbC bond angles vary in the range of 92.19(6)A degrees-94.52(6)A degrees. Molecules of I are linked via Sb(A)aEuro broken vertical bar Br(B) intermolecular contacts (3.742(2) ) to form polymer chains.

  DOI：

  10.1134/s0036023611100196

文献信息

• Oxidation of Tris(5-bromo-2-methoxyphenyl)antimony by tert-Butyl Hydroperoxide in the Presence of Compounds Containing an Active Hydrogen Atom
  作者：A. N. Efremov、V. V. Sharutin

  DOI：10.1134/s1070328422700312

  日期：2023.1

  Abstract The oxidation of tris(5-bromo-2-methoxyphenyl)antimony with tert-butyl hydroperoxide in diethyl ether in the presence of water, benzoic acid, 2,6-dihydroxybenzoic acid, or 2-chloro-4-fluorophenol gives tris(5-bromo-2-methoxyphenyl)antimony oxide (I), tris(5-bromo-2-methoxyphenyl)antimony diben-zoate (II), μ-oxo[hexakis(5-bromo-2-methoxyphenyl)-bis(2,6-dihydroxybenzoato)diantimony] (III), or

  摘要 在水、苯甲酸、2,6-二羟基苯甲酸或 2-氯-4-氟苯酚存在下，三（5-溴-2-甲氧基苯基）锑与叔丁基氢过氧化物在乙醚中氧化，得到三（5 -溴-2-甲氧基苯基）氧化锑（I），三（5-溴-2-甲氧基苯基）二苯甲酸锑（II），μ-氧代[六（5-溴-2-甲氧基苯基）-双（2， 6-dihydroxybenzoato)diantimony] ( III ), 或μ -oxo[hexakis(5-bromo-2-methoxyphenyl)-bis(2-chloro-4-fluorophenoxo)diantimony] ( IV ), 分别。产物经X射线衍射分析鉴定（CCDC nos. 2070383( I ), 2074511( II ), 1970910(三），2064392（四）。根据X射线衍射数据，氯仿溶剂化物I的晶体由含有Sb 2 O 2环的中心对称双核分子和锑原子的四方配位组成（Sb-O键长分别为1
• Synthesis and structure of the organoantimony peroxide solvates [Sb4(μ2-O)4(O2)2(C6H3MeO-2,Br-5)8]·1.5C4H8O2 and [Sb4(μ2-O)4(O2)2(C6H3MeO-2,Br-5)8]·6C4H8O2
  作者：V. V. Sharutin、O. K. Sharutina、O. V. Chagarova、O. V. Molokova

  DOI：10.1134/s1070363211110065

  日期：2011.11

  The organoantimony peroxide (Ar2SbO)4(O2)2 (Ar = C6H3OMe-2, Br-5) was synthesized by the oxidation of Ar3Sb with hydrogen peroxide in the presence or acetoxime or acetophenone oxime in dioxane. The product crystallizes with various content of the solvent molecules in the crystal unit cell [1.5 (I) and 6 (II), respectively]. An X-ray diffraction analysis of the solvates was performed. Four antimony

  在过氧化氢或乙肟或苯乙酮肟在二恶烷中的存在下，通过过氧化氢氧化Ar3Sb来合成有机过氧化锑（Ar 2 SbO）4（O 2）2（Ar = C 6 H 3 OMe-2，Br-5）。该产物在晶体晶胞中分别以不同含量的溶剂分子结晶[分别为1.5（I）和6（II）]。进行了溶剂化物的X射线衍射分析。过氧化物中的四个锑原子处于八面体配位形式，并通过桥接氧原子和两个过氧化物基团连接。距离Sb-C，Sb-O桥，Sb-O过氧化物，OO和Sb ...锑是2.117-2.122，1.960-1.972，2.193-2.235，1.461，1.465和3.223-3.237埃我和2.112，2.119，1.957，1966，2.204，2246，1,467，和3.2439埃在第二。
• 2-methoxy-5-bromophenyl antimony compounds. Synthesis and structure
  作者：V. V. Sharutin、V. S. Senchurin、O. K. Sharutina、O. V. Chagarova

  DOI：10.1134/s1070363211100100

  日期：2011.10

  Reaction of 2-methoxy-5-bromophenyllithium with antimony trichloride in diethyl ether affords tris-(2-methoxy-5-bromophenyl)antimony benzene solvate I. Its structure and chemical transformations into the new antimony aryl derivatives were studied.
• Synthesis and structural features of tris(5-bromo-2-methoxyphenyl)antimony bis (cyclopropanecarboxylate)
  作者：V. V. Sharutin、O. K. Sharutina、V. S. Senchurin、O. V. Chagarova

  DOI：10.1134/s1070363212100064

  日期：2012.10

  Reaction of tris(5-bromo-2-methoxyphenyl)antimony with cyclopropanecarboxylic acid in the presence of hydrogen peroxide (1:2:1 mol) results in tris(5-bromo-2-methoxyphenyl)antimony bis(cyclopropanecarboxylate) I. The structure of the resulting complex was proved by the XRD analysis.