malonic acid dimesityl ester | 102447-79-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: malonic acid dimesityl ester
• 英文别名: Malonsaeure-dimesitylester；Bis(2,4,6-trimethylphenyl) propanedioate；bis(2,4,6-trimethylphenyl) propanedioate
• CAS: 102447-79-0
• 化学式: C₂₁H₂₄O₄
• 分子量: 340.419
• InChiKey: UQHJPVHMXQXUBI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  malonic acid dimesityl ester 在 三氯化铝 作用下， 生成 5,6,8-trimethyl-chroman-2,4-dione
  参考文献：
  名称：

  Zur Chemie des 4-Hydroxy-cumarins

  摘要：

  DOI：

  10.1007/bf00900635
• 作为产物：
  描述：

  丙二酸 、 2,4,6-三甲酚 在 三氯氧磷 作用下， 生成 malonic acid dimesityl ester
  参考文献：
  名称：

  Zur Chemie des 4-Hydroxy-cumarins

  摘要：

  DOI：

  10.1007/bf00900635

文献信息

• FLUORESCENT SUBSTRATES FOR MONOAMINE TRANSPORTERS AS OPTICAL FALSE NEUROTRANSMITTERS
  申请人：of New York The Trustees of Columbia University in the City

  公开号：US20130190497A1

  公开（公告）日：2013-07-25

  The present invention relates to compounds of the general structure: wherein Y is O, X is O, bond α is absent and bond β is present, or Y is H, X is CH, bond α is present, and bond β is absent; atom Z is a carbon and bonds χ, δ and γ are present, or is a nitrogen and bonds χ, δ and γ are absent; R 1 is —H, —OH, —O—R 7 , —N(H)—R 8 , —N(H)—(CH 2 ) n —NH 2 , —N(R 9 )(R 10 ), or a piperazine cation; R 2 is either covalently bound to R 9 , or is —H, or is covalently bound to R 3 so as to form a substituted or unsubstituted pyrrole or R 2 is covalently bound to R 9 or R 8 or R 7 ; or R 1 and R 2 are covalently joined to form an aromatic ring; R 3 is either covalently bound to R 2 so as to form a pyrrole, or is, inter alia, —H, —OH, alkyl, or when Z is nitrogen R 3 is ═O; R 4 is, inter alia, —H, —OH, or —R 11 NH 2 ; R 5 is, inter alia, —H, —OH, or —R 12 NH 2 , and R 6 is either is covalently bound to R 10 or is —H, or R 6 is covalently bound to R 10 or R 8 or R 7 . This invention also provides processes for making the compounds as well as methods for monitoring activity of monoamine transporters or treating monoamine transporter-associated diseases by employing the compounds.

  本发明涉及以下通用结构的化合物：其中Y为O，X为O，键α不存在，键β存在，或Y为H，X为CH，键α存在，键β不存在；原子Z为碳并存在键χ，δ和γ，或为氮并不存在键χ，δ和γ；R1为—H，—OH，—O—R7，—N(H)—R8，—N(H)—(CH2)n—NH2，—N(R9)(R10)，或哌嗪阳离子；R2要么与R9共价结合，要么为—H，要么与R3共价结合以形成取代或未取代的吡咯，或R2与R9或R8或R7共价结合；或R1和R2共价结合以形成芳香环；R3要么与R2共价结合以形成吡咯，要么为—H，—OH，烷基，或者当Z为氮时，R3为═O；R4为—H，—OH，或—R11NH2；R5为—H，—OH，或—R12NH2，R6要么与R10共价结合，要么为—H，要么与R10或R8或R7共价结合。本发明还提供制备这些化合物的方法以及利用这些化合物监测单胺转运体活性或治疗单胺转运体相关疾病的方法。
• Zur Chemie des 4-Hydroxy-cumarins
  作者：E. Ziegler、H. Maier

  DOI：10.1007/bf00900635

  日期：1958.1