3-nitrophthalic acid di-n-butyl ester | 13325-37-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-nitrophthalic acid di-n-butyl ester
• 英文别名: Dibutyl 3-nitrobenzene-1,2-dicarboxylate
• CAS: 13325-37-6
• 化学式: C₁₆H₂₁NO₆
• 分子量: 323.346
• InChiKey: GNDOBKAMFVARHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  23
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  98.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-硝基邻苯二甲酸 、 正丁醇 在 硫酸 作用下， 反应 15.0h， 以95%的产率得到3-nitrophthalic acid di-n-butyl ester
  参考文献：
  名称：

  Volatility of some aromatic nitrosubstituted plasticizers for polymers

  摘要：

  Nine derivatives of nitrophthalic acids and nitrophenols were synthesized as potential plasticizers for polymers and structurally characterized by H-1 NMR and elemental analysis. The time dependences of the weight loss for the nitro derivatives synthesized and for commercial plasticizers (dibutyl phthalate and dioctyl phthalate) were obtained by gravimetric method at 100AC, and their volatilities and dipole moments were calculated. The resultant nitroplasticizers are considerably less volatile than dibutyl phthalate. Low volatility is associated not so much with high molecular weight as with high polarity. The nitroplasticizers are well compatible with cellulose esters and exhibit low rates of migration from polymer films.

  DOI：

  10.1134/s1070363217090456

文献信息

• [EN] MONOFUNCTIONAL INTERMEDIATES FOR LIGAND-DEPENDENT TARGET PROTEIN DEGRADATION<br/>[FR] INTERMÉDIAIRES MONOFONCTIONNELS POUR LA DÉGRADATION D'UNE PROTÉINE CIBLE DÉPENDANTE DU LIGAND
  申请人：UNIV MICHIGAN REGENTS

  公开号：WO2017176958A1

  公开（公告）日：2017-10-12

  The present disclosure provides compounds represented by Formula I: and the salts or solvates thereof, wherein X, L, Y, and B are as defined in the specification. Compounds having Formula I are immunomodulators and/or monofunctional synthetic intermediates that can be used to prepare small-molecule drug conjugates.

  本公开提供了由式I表示的化合物及其盐或溶剂合物，其中X、L、Y和B如规范中所定义。具有式I的化合物是免疫调节剂和/或可用于制备小分子药物共轭物的单功能合成中间体。
• [DE] AMINOPHTHALSÄUREDERIVATE<br/>[EN] AMINOPHTHALIC ACID DERIVATIVES<br/>[FR] DERIVES D'ACIDE AMINOPHTALIQUE
  申请人：BAYER AKTIENGESELLSCHAFT

  公开号：WO1997047589A1

  公开（公告）日：1997-12-18

  (DE) Die vorliegende Anmeldung betrifft die Verwendung von Aminophthalsäurederivaten als Fungizide, sowie neue Aminophthalsäurederivate und mehrere Verfahren zu deren Herstellung.(EN) The present application concerns the use of aminophthalic acid derivatives as fungicides, and novel aminophthalic acid derivatives and several processes for their production.(FR) L'invention concerne l'utilisation de dérivés d'acide aminophtalique comme fongicides, ainsi que de nouveaux dérivés d'acide aminophtalique et plusieurs procédés permettant de les préparer.

  本申请涉及氨基甲苯酸类衍生物作为防菌剂的使用，以及新型氨基甲苯酸类衍生物和制备它们的若干方法。
• [EN] MDM2 PROTEIN DEGRADERS<br/>[FR] AGENTS DE DÉGRADATION DE PROTÉINE MDM2
  申请人：UNIV MICHIGAN REGENTS

  公开号：WO2017176957A1

  公开（公告）日：2017-10-12

  The present disclosure provides compounds represented by Formula I-A: A1− L 1−B1 I-A and the pharmaceutically acceptable salts, hydrates, and solvates thereof, wherein A1, B1, and L1 are as defined as set forth in the specification. The present disclosure also provides compounds of Formula I-A for use to treat a condition or disorder responsive to degradation of MDM2 protein such as cancer.
• [EN] BET PROTEIN DEGRADERS<br/>[FR] AGENTS DE DÉGRADATION DE PROTÉINE BET
  申请人：UNIV MICHIGAN REGENTS

  公开号：WO2017180417A1

  公开（公告）日：2017-10-19

  The present disclosure provides compounds represented by Formula I: and the pharmaceutically acceptable salts, hydrates, and solvates thereof, wherein B, R1, R5, Q1, Q", L, X, Y, and Z are as defined as set forth in the specification. The present disclosure also provids compounds of Formula I for use to treat a condition or disorder responsive to degradation of BET bromodomains such as cancer.