2-溴戊二酸二甲酯 | 760-94-1

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 2-溴戊二酸二甲酯
• 英文名称: dimethyl-2-bromoglutarate
• 英文别名: dimethyl 2-bromopentanedioate；dimethyl α-bromoglutarate；1,5-dimethyl 2-bromopentanedioate；2-bromoglutarate dimethyl ester
• CAS: 760-94-1
• 化学式: C₇H₁₁BrO₄
• 分子量: 239.066
• InChiKey: MUPSZQADJPIQMZ-UHFFFAOYSA-N

物化性质

• 沸点：
  135℃ (11 Torr)
• 密度：
  1.452±0.06 g/cm3 (20 ºC 760 Torr)
• 闪点：
  99.1±23.2℃

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2917190090
• 危险性防范说明：
  P264,P270,P301+P312,P330
• 危险性描述：
  H302
• 储存条件：
  存储条件为2-8°C，并需保存在惰性气体中。

反应信息

• 作为反应物：
  描述：

  2-溴戊二酸二甲酯 在 palladium on activated charcoal 氢气 、 potassium carbonate 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 25.0 ℃ 、101.33 kPa 条件下， 反应 19.0h， 生成 2,3',6-trihydroxy-4-(1,3-dicarbomethoxypropoxy)-4'-propoxydihydrochalcone
  参考文献：
  名称：

  Dihydrochalcone sweeteners. A study of the atypical temporal phenomena

  摘要：

  Neohesperidin dihydrochalcone (NHDHC), known since 1963 as an intensely sweet compound, is determined to be 340 +/- 60 (p less than 0.05) times more potent than sucrose. The unusual temporal properties of this material are hypothesized as being due to the effects of metabolism, conformation, chelation, or hydrophobicity. Forty-four analogues are synthesized to test the four hypotheses, none of which are strongly supported. A method of quantitation of temporal characteristics of tastant molecules is developed so as to allow comparison of taste appearance time (AT) and extinction time (ET) of experimental compounds. Four of the new compounds, 40 and 43-45, exhibit high sweetness potencies, ranging from 280 and 440 times sucrose, and may be useful in selected food systems. The temporal taste characteristics remain unimproved over NHDHC, however.

  DOI：

  10.1021/jm00136a011
• 作为产物：
  描述：

  戊二酸单甲酯 在 氯化亚砜 、 溴 作用下， 反应 17.0h， 生成 2-溴戊二酸二甲酯
  参考文献：
  名称：

  Preparation and Diels-Alder reactions of 1,1-dicarbonylalkenes

  摘要：

  DOI：

  10.1021/jo00142a028
• 作为试剂：
  描述：

  2-溴戊二酸二甲酯 、 4-氨基-异吲哚啉-1-酮 在 2-溴戊二酸二甲酯 作用下， 以70的产率得到来那度胺杂质20
  参考文献：
  名称：

  [EN] METHODS FOR SYNTHESIZING 3-(SUBSTITUTED DIHYDROISOINDOLINONE-2-YL)-2,6-DIOXOPIPERIDINE, AND INTERMEDIATES THEREOF
  [FR] PROCÉDÉS POUR LA SYNTHÈSE DE 3-[(DIHYDROISOINDOLINONE SUBSTITUÉE)-2-YL]-2,6-DIOXOPIPÉRIDINE ET INTERMÉDIAIRES CORRESPONDANTS

  摘要：

  本发明揭示了一种合成3-（取代的二氢异吲哚啉-2-基）-2,6-二氧代哌啶及其中间体的方法，即合成式（I）化合物的方法，其中每个取代基在专利说明中有定义。由于具有高生产率、对环境影响小和材料易得等优点，本发明的方法适用于工业生产。

  公开号：

  WO2010139266A1

文献信息

• Photochemical α-carboxyalkylation of tryptophols and tryptamines <i>via</i> C–H functionalization
  作者：Zhiqiang Pan、Yuchang Liu、Fengchi Hu、Qinglong Liu、Wenbin Shang、Chengfeng Xia

  DOI：10.1039/d0cc00847h

  日期：——

  strategy activated the C-Br bonds of α-bromo-alkylcarboxylic esters to provide carbon-centered radicals under the catalysis of Ir(iii) photocatalyst and coupled with indole derivatives. This methodology displayed wide functional group tolerance and excellent regioselectivity, and was applied to the late-stage functionalization and preparation of indole-containing hybrids.

  已经开发了在可见光照射下通过CH键的官能化使色酚和色胺的α-羧烷基化的方法。该光化学策略在Ir（iii）光催化剂的催化下并与吲哚衍生物偶联，活化了α-溴代烷基羧酸酯的C-Br键以提供以碳为中心的自由基。该方法显示出宽泛的官能团耐受性和优异的区域选择性，并应用于后期功能化和含吲哚杂种的制备。
• Multivalent indole compounds and use thereof as phospholipase-A2 inhibitors
  申请人：Chang Han-Ting

  公开号：US20070135385A1

  公开（公告）日：2007-06-14

  Indole and indole-related compounds, compositions and methods are disclosed. The compounds of the invention are useful as phospholipase inhibitors. The compounds and compositions of the invention are useful for treatment of phospholipase-related conditions, such as insulin-related, weight-related and/or cholesterol-related conditions in an animal subject.

  吲哚和与吲哚相关的化合物、组合物以及方法被披露。发明中的这些化合物作为磷脂酶抑制剂非常有用。发明中的这些化合物和组合物用于治疗动物受试者中的磷脂酶相关状况，例如胰岛素相关、体重相关和/或胆固醇相关状况。
• CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME
  申请人：Arvinas, Inc.

  公开号：US20180215731A1

  公开（公告）日：2018-08-02

  The description relates to cereblon E3 ligase binding compounds, including bifunctional compounds comprising the same, which find utility as modulators of targeted ubiquitination, especially inhibitors of a variety of polypeptides and other proteins which are degraded and/or otherwise inhibited by bifunctional compounds according to the present disclosure. In particular, the description provides compounds, which contain on one end a ligand which binds to the cereblon E3 ubiquitin ligase and on the other end a moiety which binds a target protein such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of that protein. Compounds can be synthesized that exhibit a broad range of pharmacological activities consistent with the degradation/inhibition of targeted polypeptides of nearly any type.

  该描述涉及cereblon E3连接酶结合化合物，包括包含相同成分的双功能化合物，这些化合物作为靶向泛素化的调节剂具有实用价值，尤其是抑制剂，可降解和/或以其他方式抑制根据本公开的双功能化合物。特别是，该描述提供了化合物，其一端含有与cereblon E3泛素连接酶结合的配体，另一端含有与目标蛋白结合的部分，使目标蛋白位于泛素连接酶附近以降解（和抑制）该蛋白。可以合成表现出广泛药理活性的化合物，与几乎所有类型的靶向多肽的降解/抑制一致。
• Substituted dihydrothieno-thiophene-2-sulfonamides and dioxides thereof
  申请人：MERCK & CO. INC.

  公开号：EP0480745A3

  公开（公告）日：1992-07-29

  Substituted 4,5-dihydrothieno[2,3-b]thiophene-2-sulfonamides and 6,6-oxides and dioxides thereof of formula I and the isomeric 5,6-dihydrothieno[3,2-b]thiophene-2-sulfonamides and 4,4-dioxides thereof of formula II are topically effective carbonic anhydrase inhibitors useful in the treatment of ocular hypertension and glaucoma associated therewith.

  取代的4,5-二氢噻吩[2,3-b]噻吩-2-磺酰胺及其6,6-氧化物和二氧化物（公式I）以及异构的5,6-二氢噻吩[3,2-b]噻吩-2-磺酰胺及其4,4-二氧化物（公式II）是局部有效的碳酸酐酶抑制剂，可用于治疗与开角型青光眼相关的高眼压和青光眼。
• [EN] CHELATE COMPOUNDS<br/>[FR] COMPOSÉS CHÉLATES
  申请人：GE HEALTHACRE AS

  公开号：WO2017220610A1

  公开（公告）日：2017-12-28

  The invention provides compounds of formula (I) suitable for use as contrast agents in magnetic resonance imaging (MRI). The compounds of the present invention are manganese (II) complexes having advantageous properties as compared with similar known compounds.

  该发明提供了适用于磁共振成像（MRI）对比剂的化合物（I）的公式。本发明的化合物是锰（II）配合物，具有与类似已知化合物相比具有优越性能的优点。