枯基溴乙酸酯 | 153698-47-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 枯基溴乙酸酯
• 英文名称: 2-phenylpropan-2-yl 2-bromoacetate
• CAS: 153698-47-6
• 化学式: C₁₁H₁₃BrO₂
• 分子量: 257.127
• InChiKey: FJNPVJJELYACEU-UHFFFAOYSA-N

物化性质

• 沸点：
  287.9±15.0 °C(Predicted)
• 密度：
  1.358±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

上下游信息

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  ——	DOTA-tri(alpha-cumyl Ester)	1412494-57-5	C43H58N4O8	758.956

反应信息

• 作为反应物：
  描述：

  枯基溴乙酸酯 在 N-甲基吗啉 、 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 11.0h， 生成 DOTA-tri(alpha-cumyl Ester)
  参考文献：
  名称：

  DOTA-tris(OPp ester) as a bifunctional prochelator for the preparation of DOTA–peptide conjugates

  摘要：

  Peptides containing the chelator DOTA have gained importance for molecular imaging and therapy with radionuclides. However, all synthons described for the convergent solid phase synthesis of DOTA-peptide conjugates show windows of stability that are too narrow to allow a clean and convergent deprotection process. The synthesis of the new prochelator DOTA-tris(OPp ester) starting from cyclen is reported. Using this prochelator for the synthesis of several DOTA peptide conjugates revealed that its cleavage-in contrast to the cleavage of DOTA-tris(tBu ester) conjugates-does not require an extended deprotection time, and therefore results in clean and homogenous products. (C) 2012 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2012.10.007
• 作为产物：
  描述：

  2-苯基-2-丙醇 在 sodium hydride 作用下， 以 乙醚 、 正己烷 、 二氯甲烷 为溶剂， 反应 2.0h， 生成 枯基溴乙酸酯
  参考文献：
  名称：

  DOTA-tris(OPp ester) as a bifunctional prochelator for the preparation of DOTA–peptide conjugates

  摘要：

  Peptides containing the chelator DOTA have gained importance for molecular imaging and therapy with radionuclides. However, all synthons described for the convergent solid phase synthesis of DOTA-peptide conjugates show windows of stability that are too narrow to allow a clean and convergent deprotection process. The synthesis of the new prochelator DOTA-tris(OPp ester) starting from cyclen is reported. Using this prochelator for the synthesis of several DOTA peptide conjugates revealed that its cleavage-in contrast to the cleavage of DOTA-tris(tBu ester) conjugates-does not require an extended deprotection time, and therefore results in clean and homogenous products. (C) 2012 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2012.10.007

文献信息

• ACID GENERATORS AND PHOTORESISTS COMPRISING SAME
  申请人：Rohm and Haas Electronic Materials, LLC

  公开号：US20160002199A1

  公开（公告）日：2016-01-07

  Acid generator compounds are provided that are particularly useful as photoresist composition components. Preferred acid generators include cyclic sulfonium compounds that comprise a covalently linked acid-labile group.

  提供了一些作为光刻胶组分特别有用的酸发生剂化合物。首选的酸发生剂包括含有共价连接的酸敏感基团的环状硫铵化合物。
• A Bis-Manganese(II)-DOTA Complex for Pulsed Dipolar Spectroscopy
  作者：Paul Demay-Drouhard、H. Y. Vincent Ching、Dmitry Akhmetzyanov、Régis Guillot、Leandro C. Tabares、Hélène C. Bertrand、Clotilde Policar

  DOI：10.1002/cphc.201600234

  日期：2016.7.4

  using pulsed electron–electron double resonance (PELDOR or DEER) at high fields/frequencies. For certain complexes, particularly those with relatively small zero‐field splitting (ZFS) and short distances between the two metal centers, the pseudosecular term of the dipolar coupling Hamiltonian is non‐negligible. However, in general, the contribution from this term during conventional data analysis is

  高自旋g（III）和锰（II）配合物已成为标准的氮氧化物自由基自旋标记的替代物，用于通过在高场/频下使用脉冲电子-电子双共振（PELDOR或DEER）来测量纳米距离。对于某些配合物，尤其是零场分裂（ZFS）相对较小且两个金属中心之间距离较短的配合物，偶极耦合哈密顿量的拟长期项是不可忽略的。但是，通常而言，该术语在常规数据分析过程中的作用被所关注分子的柔韧性和/或将它们连接至自旋标记的长系链的柔韧性所掩盖。由两个[Mn（dota）] 2−（MnDOTA; DOTA 4−据报道，直接连接到中心棒状低聚（亚苯基-乙炔基）间隔基末端的= 1,4,7,10-四氮杂环十二烷-1,4,7,10-四乙酸酯）。通过对双硝基氧类似物进行Q波段PELDOR测量，可以确定OPE的刚度。由W波段PELDOR确定的Mn II -Mn II距离分布曲线与使用简单旋转仪分析所模拟的Mn II -Mn II距离分布曲线是合
• Acid generators and photoresists comprising same
  申请人：Rohm and Haas Electronic Materials LLC

  公开号：US08945814B2

  公开（公告）日：2015-02-03

  Acid generator compounds are provided that are particularly useful as photoresist composition components. Preferred acid generators include cyclic sulfonium compounds that comprise a covalently linked acid-labile group.

  提供了一种特别适用于光刻胶组分的酸发生剂化合物。首选的酸发生剂包括含有共价连接的酸敏感基团的环状硫铵化合物。
• Cumyl Ester as the C-Terminal Protecting Group in the Enantioselective Alkylation of Glycine Benzophenone Imine
  作者：Tomasz Respondek、Eric Cueny、Jeremy J. Kodanko

  DOI：10.1021/ol202939g

  日期：2012.1.6

  Cumyl ester is an optimal C-terminal protecting group for glycine benzophenone imine in asymmetric alkylation reactions catalyzed by Cinchona chiral phase-transfer catalysts. High levels of enantioselectivity have been obtained (up to 94% ee) with this substrate, which provides an attractive alternative to the analogous tert-butyl ester. N-terminal imines and the C-terminal esters can be cleaved from

  枯草酸酯是在金鸡纳手性相转移催化剂催化的不对称烷基化反应中，甘氨酸二苯甲酮亚胺的最佳C端保护基。用该底物已经获得了高水平的对映选择性（高达94％ee），为类似的叔丁酯提供了有吸引力的替代方法。N-末端亚胺和C-末端酯可通过氢解从烷基化产物上裂解，同时保持酸不稳定的侧链保护基。
• Prodrugs of thrombin inhibitors
  申请人：Astra AB

  公开号：US05965692A1

  公开（公告）日：1999-10-12

  There is provided compounds of formula I, R.sup.1 O(O)C--CH.sub.2 --(R)Cgl-Aze-Pab-R.sup.2 I wherein R.sup.1 and R.sup.2 have meanings given in the description, which are useful as prodrugs of inhibitors of trypsin-like proteases, such as thrombin, and in particular in the treatment of conditions where inhibition of thrombin is required (eg thrombosis) or as anticoagulants.

  提供的化合物的化学式为I，R.sup.1 O(O)C--CH.sub.2 --(R)Cgl-Aze-Pab-R.sup.2 I，其中R.sup.1和R.sup.2的含义如描述中所示，这些化合物可用作类似Trypsin蛋白酶的抑制剂的前药，例如凝血酶，并且特别适用于需要抑制凝血酶的情况的治疗（例如血栓形成）或作为抗凝剂。