N,N'-dimethyl-4-iodobenzamidine | 743476-78-0

• 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: N,N'-dimethyl-4-iodobenzamidine
• 英文别名: HDMBA-I；4-iodo-N,N'-dimethylbenzenecarboximidamide
• CAS: 743476-78-0；1134637-29-8
• 化学式: C₉H₁₁IN₂
• 分子量: 274.104
• InChiKey: UDGGSETWXADLDP-UHFFFAOYSA-N

物化性质

• 沸点：
  334.9±34.0 °C(Predicted)
• 密度：
  1.57±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  24.4
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N,N'-dimethyl-4-iodobenzamidine 、 cis-Ru2(N,N'-bis(3,5-dichlorophenyl)formamidinate)2(acetate)2Cl(H2O)*0.5THF 在 LiCl 、 Et₃N 作用下， 以 四氢呋喃 为溶剂， 以85%的产率得到cis-Ru2(N,N'-bis(3,5-dichlorophenyl)formamidinate)2(N,N'-dimethyl-4-iodobenzamidinate)2Cl
  参考文献：
  名称：

  外围带有碘/乙炔基取代基的Ru2化合物家族的制备和表征。

  摘要：

  已开发出高产率的混合桥联配体Ru2化合物Ru2（D（3,5-Cl2Ph）F）（4-n）（OAc）nCl [n = 1（1）和2（2）] ，其中D（3,5-Cl2Ph）F是双（3,5-二氯苯基）甲ami酸酯。可以使用DMBA-1定量置换1和2中的乙酸酯配体，以生成Ru2（D（3,5-Cl2Ph）F）3（DMBA-1）Cl（3）和Ru2（D（3,5-Cl2Ph）） F）2（DMBA-1）2 Cl（4），其中DMBA-1是N，N'-二甲基-4-碘苯甲mid酸酯。当化合物2用1当量的HDMBA-I处理时，一种独特的Ru2化合物包含三种不同类型的双齿桥接配体，即顺式Ru2（D（3,5-Cl2Ph）F）2（DMBA-1）（OAc）Cl （5），得到。在Sonogashira偶联条件下3/4与（三甲基甲硅烷基）乙炔之间的后续反应导致Ru2（D（3,5-Cl2Ph）F）（4-n）（DMBA-C [三键] CSiMe3）nCl

  DOI：

  10.1021/ic0608389

文献信息

• Selective Ligand Modification on the Periphery of Diruthenium Compounds:  Toward New Metal-Alkynyl Scaffolds
  作者：Wei-Zhong Chen、Tong Ren

  DOI：10.1021/om050068t

  日期：2005.5.1

  Diruthenium compounds Ru-2(DmAniF)(3)(OAc)Cl (1, DmAniF is N,N'-di(m-methoxyphenyl)-formamidinate) and cis-Ru-2(DmAniF)(2)(OAc)(2)Cl (6) reacted with N,N'-dimethyl-4-iodobenzamidine (HDMBA-I) to furnish new compounds Ru-2(DmAniF)(3)(DMBA-I)Cl (2) and cis-Ru-2(DmAniF)(2)(DMBA-I)(2)Cl (7), respectively. Both compounds 2 and 7 were modified with a terminal alkyne under Sonogashira conditions. Examples reported include 2 cross-coupled with HC (CSiPr3)-Pr-i or HC CFc to yield Ru-2(DmAniF)(3)(DMBA-4-(C2SiPr3)-Pr-i)Cl (3a) or Ru-2(DmAniF)(3)(DMBA-4-C(2)Fc)Cl (3b), respectively, and 7 cross-coupled with HC CFc to yield cis-Ru-2(DMAniF)(2)(DMBA-4-C(2)Fc)(2)Cl (8). The peripherally modified compounds (2, 3a/3b, 7, and 8) were further alkynylated at the axial positions of the Ru-2 core to yield a series of bis-alkynyl adducts: Ru-2(DMAniF)(3)(DMBA-4-(C2SiPr3)-Pr-i)(C4SiMe3)(2) (4a), Ru-2(DmAniF)(3)(DMBA-4-C2Fc)(C4SiMe3)(2) (4b), Ru-2(DmAniF)(3)(DMBA-I)(2)(C4SiMe3)(2) (5), cis-Ru-2(DmAniF)(2)(DMBA-4-C2FC)(2)(C2Ph)(2) (9), and cis-Ru-2(DniAniF)(2)(DMBA-I)(2)(C2Ph)(2) (10). All compounds reported were characterized with voltammetric, vis-NIR, and NMR (whenever applicable) techniques. Molecular structures of compounds 1, 4a, 5, 6, 9, and 10 were established through X-ray diffraction studies.
• Postmetalation Ligand Modification on the Periphery of a Diruthenium Compound:  Toward Novel Metallayne Scaffoldings
  作者：Wei-Zhong Chen、Tong Ren

  DOI：10.1021/om049702d

  日期：2004.8.1

  A diruthenium compound bearing a peripheral iodo substituent cross-couples with acetylenes under Sonogashira conditions to yield a novel family of diruthenium compounds bearing a peripheral alkyne functionality, which can be further functionalized at the axial positions via a reaction with lithiated butadiynyl.