methyl 2-(6-bromo-5-methylthieno[2,3-d]pyrimidin-4-ylthio)acetate | 1365062-26-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: methyl 2-(6-bromo-5-methylthieno[2,3-d]pyrimidin-4-ylthio)acetate
• 英文别名: Methyl 2-(6-bromo-5-methylthieno[2,3-d]pyrimidin-4-ylthio)acetate；methyl 2-(6-bromo-5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
• CAS: 1365062-26-5
• 化学式: C₁₀H₉BrN₂O₂S₂
• 分子量: 333.23
• InChiKey: CXXHQQGTQWOLGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  106
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl 2-(6-bromo-5-methylthieno[2,3-d]pyrimidin-4-ylthio)acetate 在 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 2-((6-bromo-5-methylthieno[2,3-d]pyrimidin-4-yl)thio)acetic acid
  参考文献：
  名称：

  Stimulation of cortical bone formation with thienopyrimidine based inhibitors of Notum Pectinacetylesterase

  摘要：

  A group of small molecule thienopyrimidine inhibitors of Notum Pectinacetylesterase are described. We explored both 2-((5,6-thieno[2,3-d]pyrimidin-4-yl)thio)acetic acids and 2-((6,7-thieno[3,2-d]pyrimidin-4-yl)thio)acetic acids. In both series, highly potent, orally active Notum Pectinacetylesterase inhibitors were identified. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2016.02.021
• 作为产物：
  描述：

  巯基乙酸甲酯 、 6-bromo-4-chloro-5-methylthieno[2,3-d]pyrimidine 在 三乙胺 作用下， 生成 methyl 2-(6-bromo-5-methylthieno[2,3-d]pyrimidin-4-ylthio)acetate
  参考文献：
  名称：

  Stimulation of cortical bone formation with thienopyrimidine based inhibitors of Notum Pectinacetylesterase

  摘要：

  A group of small molecule thienopyrimidine inhibitors of Notum Pectinacetylesterase are described. We explored both 2-((5,6-thieno[2,3-d]pyrimidin-4-yl)thio)acetic acids and 2-((6,7-thieno[3,2-d]pyrimidin-4-yl)thio)acetic acids. In both series, highly potent, orally active Notum Pectinacetylesterase inhibitors were identified. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2016.02.021

文献信息

• INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE
  申请人：BARBOSA Joseph

  公开号：US20120065200A1

  公开（公告）日：2012-03-15

  Compounds are disclosed for the treatment, management and prevention of diseases and disorders affecting the bone. Particular compounds are potent inhibitors of Notum Pectinacetylesterase, and are of the formula: wherein E, G, Y, Z, R 1 , R 2 , and R 3 are defined herein.

  揭示了用于治疗、管理和预防影响骨骼的疾病和紊乱的化合物。特定的化合物是Notum果胶乙酰酶的强效抑制剂，化学结构如下：其中E、G、Y、Z、R1、R2和R3如本文所定义。
• Co-supported catalyst system comprising chromium and group 4 metal complex
  申请人：Hoang Peter Phung Minh

  公开号：US20100190937A1

  公开（公告）日：2010-07-29

  Polyethylene is made by (co)polymerizing ethylene in a gas-phase reactor using a catalyst system comprising a chromium catalyst and a Group 4 transition metal catalyst, co-supported on an inorganic oxide support. The Group 4 transition metal catalyst is defined by the formula shown, wherein M is a Group 4 metal, PI is a phosphinimide or ketimide ligand (shown), L is a monoanionic ligand which is a cyclopentadienyl or a bulky heteroatom type ligand, m is 1 or 2, n is 0 or 1, and p is an integer. The co-supported catalyst system gives access to polyethylene having a broad or bimodal molecular weight distribution. In the copolymerization of ethylene, reversed or partially reversed comonomer distribution is achieved: the Group 4 component provides polymer segments having higher molecular weight and also higher comonomer incorporation than polymer segments produced at the chromium sites.

  聚乙烯是通过在气相反应器中使用铬催化剂和第四族过渡金属催化剂的催化体系，在无机氧化物载体上共同支持下，聚合乙烯而制成的。第四族过渡金属催化剂由所示公式定义，其中M为第四族金属，PI为膦亚胺或酮亚胺配体（如图所示），L为单负离子配体，是环戊二烯基或笨重的杂原子型配体，m为1或2，n为0或1，p为整数。共同支持的催化剂体系可获得具有广泛或双峰分子量分布的聚乙烯。在乙烯的共聚反应中，实现了反转或部分反转的共聚单体分布：第四族成分提供具有较高分子量和较高共聚单体含量的聚合物片段，而在铬位点产生的聚合物片段则相对较低。
• Polymerization process using a mixed catalyst system
  申请人：Hoang Peter Phung Minh

  公开号：US20100190936A1

  公开（公告）日：2010-07-29

  Polyethylene is made by (co)polymerizing ethylene in a gas-phase reactor using a mixed catalyst system comprising a chromium catalyst supported on silica and a Group 4 transition metal catalyst, separately supported on silica. The Group 4 transition metal catalyst is defined by the formula shown, wherein M is a Group 4 metal, PI is a phosphinimide or ketimide ligand (shown), L is a monoanionic ligand which is a cyclopentadienyl or a bulky heteroatom type ligand, m is 1 or 2, n is 0 or 1, and p is an integer. The mixed catalyst system gives access to polyethylene having a broad or bimodal molecular weight distribution. In the copolymerization of ethylene, reversed or partially reversed comonomer distribution is achieved: the supported Group 4 component provides polymer segments having higher molecular weight and also higher comonomer incorporation than polymer segments produced at the supported chromium sites.

  聚乙烯是通过在气相反应器中使用混合催化剂体系的乙烯(共)聚合制得的，该体系包括支持在二氧化硅上的铬催化剂和支持在二氧化硅上的第四族过渡金属催化剂。第四族过渡金属催化剂由所示的公式定义，其中M是第四族金属，PI是膦亚胺或酮亚胺配体（如图所示），L是单负离子配体，是环戊二烯基或臃肿的杂原子型配体，m为1或2，n为0或1，p是一个整数。混合催化剂体系可获得具有宽分子量分布或双峰分子量分布的聚乙烯。在乙烯的共聚合中，实现了反向或部分反向的共聚单体分布：支持的第四族组分提供具有更高分子量和更高共聚单体掺入量的聚合物片段，而支持的铬位点产生的聚合物片段则较低。
• CHROMIUM OXIDE CATALYST FOR ETHYLENE POLYMERIZATION
  申请人：SABIC Global Technologies B.V.

  公开号：EP3715385A1

  公开（公告）日：2020-09-30

  The invention relates to a solid catalyst system comprising a first chromium compound, a second chromium compound, a reaction product of an alkyl aluminium compound and a nitrogen containing compound and a silicon oxide support, wherein the first chromium compound is chromium trioxide or a compound convertible to chromium trioxide, the second chromium compound is a slilylchromate compound and the nitrogen containing compound is a cycloalkylamine compound having the general formula: R3-NH2, wherein R3 is selected from C3-C8 cycloalkyl groups.

  本发明涉及一种固体催化剂体系，包括第一种铬化合物、第二种铬化合物、烷基铝化合物和含氮化合物的反应产物以及氧化硅载体，其中第一种铬化合物为三氧化铬或可转化为三氧化铬的化合物、 第二种铬化合物是氯铬酸盐化合物，以及 含氮化合物是具有通式的环烷基胺化合物：R3-NH2，其中 R3 选自 C3-C8 环烷基。
• Controlling local fluid age in a stirred reactor
  申请人：NOVA Chemicals (International) S.A.

  公开号：US10543473B2

  公开（公告）日：2020-01-28

  In a stirred tank chemical reactor the mean age of the reactor contents affects a number of properties of the product, including for example the homogeneity of the product. The mean average age of the reactor contents can be determined by constructing a transparent model of the reactor and filling it with a fluid containing a fluorescent dye and having flow properties comparable to those of the reactor in use. A light is shone on the fluid as it is stirred under reaction conditions and a clear fluid flow into the model. Pictures are taken of the reactor contents and the mean fluid age of the contents of the model are determined relative to the exit age of the contents. This approach can be applied to determine for example which reactor ports to use, what agitator to use, what flow rates to use to improve reactor function.

  在搅拌罐化学反应器中，反应器内容物的平均年龄会影响产品的一系列特性，例如包括产品的均匀性。要确定反应器内装物的平均平均年龄，可以建造一个透明的反应器模型，并在其中注入含有荧光染料且流动特性与使用中的反应器相当的流体。在反应条件下搅拌流体时，用灯光照射流体，透明的流体流入模型中。拍摄反应器内容物的照片，确定模型内容物的平均流体龄与内容物出口龄的关系。这种方法可用于确定使用哪种反应器端口、使用哪种搅拌器、使用哪种流速来改善反应器功能等。