2-tert-butyl-4,6-dichloropyrimidine | 1044771-51-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-tert-butyl-4,6-dichloropyrimidine
• 英文别名: 2-(tert-Butyl)-4,6-dichloropyrimidine
• CAS: 1044771-51-8
• 化学式: C₈H₁₀Cl₂N₂
• mdl: MFCD11045675
• 分子量: 205.087
• InChiKey: INTDGBJUITUUCN-UHFFFAOYSA-N

物化性质

• 沸点：
  247.3±20.0 °C(Predicted)
• 密度：
  1.231±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-tert-butyl-4,6-dichloropyrimidine 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 三乙胺 作用下， 以 甲醇 为溶剂， 反应 120.5h， 生成 6-[(1-acetylazetidin-3-yl)amino]-2-tert-butyl-N-[(2S)-2-hydroxy-3-[6-(oxazol-5-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyrimidine-4-carboxamide
  参考文献：
  名称：

  Compounds and methods of use

  摘要：

  根据以下公式（I）提供化合物： 及其药学上可接受的盐，以及其药物组合物；其中X1、X2、X3、X4、Y、A、L1、L2、R1、R2、R5、m和n如本文所定义。本发明的化合物被认为对预防和治疗各种疾病条件有用。

  公开号：

  US11077101B1
• 作为产物：
  描述：

  2-叔丁基-4,6-二羟基嘧啶 在 三氯氧磷 作用下， 反应 5.0h， 以0.41 g的产率得到2-tert-butyl-4,6-dichloropyrimidine
  参考文献：
  名称：

  Structure−Activity Studies on a Series of a 2-Aminopyrimidine-Containing Histamine H₄ Receptor Ligands

  摘要：

  A series of 2-aminopyrimidines was synthesized as ligands of the histamine H-4 receptor (H4R). Working in part from a pyrimidine hit that was identified in an HTS campaign, SAR studies were carried out to optimize the potency, which led to compound 3,4-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylamine. We further studied this compound by systematically modifying the core pyrimidine moiety, the methylpiperazine at position 4, the NH2 at position 2, and positions 5 and 6 of the pyrimidine ring. The pyrimidine 6 position benefited the most from this optimization, especially in analogs in which the 6-tert-butyl was replaced with aromatic and secondary amine moieties. The highlight of the optimization campaign was compound 4, 4-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzonitrile, which was potent in vitro and was active as an anti-inflammatory agent in an animal model and had antinociceptive activity in a pain model, which supports the potential of H4R antagonists in pain.

  DOI：

  10.1021/jm8005959

文献信息

• HETEROCYCLIC ANTIVIRAL COMPOUNDS
  申请人：Li Jim

  公开号：US20110070189A1

  公开（公告）日：2011-03-24

  Compounds having the formula I wherein R 1 , R 2 , R 3 , R 4 , and R 5 are as defined herein are Hepatitis C virus NS5b polymerase inhibitors. Also disclosed are compositions and methods for treating an HCV infection and inhibiting HCV replication.

  具有化学式I的化合物，其中R1、R2、R3、R4和R5的定义如本文所述，是丙型肝炎病毒NS5b聚合酶抑制剂。还公开了用于治疗HCV感染和抑制HCV复制的组合物和方法。
• Ligand-Enforced Switch of the Coordination Mode in Low-Valent Group 6 Carbonyl Complexes Containing Pyrimidine-Based Bisphosphines
  作者：Gerald Tomsu、Matthias Mastalir、Ernst Pittenauer、Berthold Stöger、Günter Allmaier、Karl Kirchner

  DOI：10.1021/acs.organomet.8b00192

  日期：2018.6.25

  case of molybdenum, the reaction led to the formation of an inseparable mixture of the agostic complex [Mo(κ3P,CH,P-PymtBu-iPr)(CO)3] and the hydrido carbonyl complex [Mo(κ3P,C,P-PymtBu-iPr)(CO)3(H)], and with tungsten the hydrido carbonyl complex [W(κ3P,C,P-PymtBu-iPr)(CO)3(H)] was exclusively formed. In the presence of strong bases both complexes could not be deprotonated. In addition, hydride abstraction

  M（CO）6（M = Cr，Mo，W）与带有R =的N，N'-双（二异丙基膦）-N，N'-二甲基嘧啶-4,6-二胺（Pym R - i Pr）的反应研究了2位上的Me，Ph，t Bu取代基。与R = Me中嘧啶基双膦配体中，Ph与M（CO）反应6得到类型[M（κ的单核和homobimetallic络合物2 P，N -Pym我-我PR）（CO）4 ]和[ M（CO）4 -μ 2 - （κ 2 P，N -Pym博士-我PR）M（CO）4 ]，分别。的类型的双核配合物[M 1（CO）4 -μ 2 - （κ 2 P，N -Pym我-我镨）M 2（CO）4 ]是由单核配合物[M反应而得到的1（κ 2 P， N- Pym Me - i Pr）（CO）4 ]具有1当量的相应的M 2（CO）6。用笨重的t取代这些取代基Bu基导致嘧啶配体配位模式的转换。在铬的情况下，络合物[铬（κ 3 P，CH，P -Pym
• 4-AMINOPYRIMIDINE DERIVATIVES AS HISTAMINE H4 RECEPTOR ANTAGONISTS
  申请人：Palau Pharma, S.A.

  公开号：EP2235012B1

  公开（公告）日：2013-07-17
• IMIDAZOLYL AMIDE COMPOUNDS AND USES RELATED THERETO
  申请人：Plemper Richard K.

  公开号：US20140080828A1

  公开（公告）日：2014-03-20

  This disclosure relates to antiviral compounds disclosed herein and uses related thereto. In certain embodiments, the disclosure relates to pharmaceutical compositions comprising 2-((benzo[d]imidazol-2-yl)thio)-N-phenylpropanamide derivatives, N-phenyl-2-((1-phenyl-benzo[d]imidazol-2-yl)thio)propanamide derivatives, or 2-((benzo[d]imidazol-2-yl)thio)-N-(2-chloro-4-methylphenyl)propanamide derivatives. The derivatives may be substituted with one or more substituents. Typically, the pharmaceutical composition comprises a compound of Formula (I), or salt, prodrug, or ester thereof wherein X, Y, and R1 to R7 are described herein.
• US8063072B2
  申请人：——

  公开号：US8063072B2

  公开（公告）日：2011-11-22