2,3,3-trimethyl-1-para-tolyl-butan-1-ol

• 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: 2,3,3-trimethyl-1-para-tolyl-butan-1-ol
• 英文别名: 2,3,3-Trimethyl-1-(4-methylphenyl)butan-1-ol
• 化学式: C₁₄H₂₂O
• 分子量: 206.328
• InChiKey: QRAUUQMSXYWAQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-甲基噻吩 、 2,3,3-trimethyl-1-para-tolyl-butan-1-ol 在 四氟硼酸-二乙醚络合物 作用下， 以 二氯甲烷 为溶剂， 反应 0.33h， 生成 anti-2-methyl-5-(2,3,3-trimethyl-1-p-tolyl-butyl)thiophene 、 syn-2-methyl-5-(2,3,3-trimethyl-1-p-tolyl-butyl)thiophene
  参考文献：
  名称：

  手性α-支链苄基碳正离子：与芳烃亲核试剂的非对映选择性分子间反应和核磁共振光谱研究

  摘要：

  制备手性苄醇 1-6 并在酸性介质中与各种芳烃亲核试剂进行 S(N)1 型置换反应。在优化条件下 (HBF(4).OEt(2), CH(2)Cl(2), -78 摄氏度 --> rt) 相应的 1,1-二芳基烷烃 11-18 和 20 以良好的化学产率获得(48-99%)。当底物在亲电碳原子的 α 位具有立体碳中心 -CHtBuMe 时，反应的面部非对映选择性很高（dr = 91/9-97/3）。如果起始材料是对映体纯的，则没有观察到显着的外消旋化（94% ee --> 92% ee）。如分离的非对映异构体syn-1a 和anti-1a 在单独反应中转化为相同产物syn-11 (dr = 97/3) 所证明的，反应立体会聚地进行。从超酸性介质中的 NMR 研究中获得了长寿命手性苄型碳正离子作为反应中间体的进一步证据。手性阳离子 24 生成 SO(2)ClF 作为溶剂在 -70 摄氏度使用 SbF(5)

  DOI：

  10.1021/ja062102g

文献信息

• Cytotoxic peptides and conjugates thereof
  申请人：NOVARTIS AG

  公开号：US10280139B2

  公开（公告）日：2019-05-07

  Disclosed herein are novel compounds of formula (I) as described herein: and the use of such peptides in making immunoconjugates (i.e Antibody Drug Conjugates) Also described herein are immunoconjugates (i.e Antibody Drug Conjugates) comprising such novel compound linked to an antigen binding moiety, such as an antibody; where such immunoconjugates are useful for treating cell proliferative disorders. The invention further provides pharmaceutical compositions comprising these immunoconjugates, compositions comprising the immunoconjugates with a therapeutic co-agent, and methods to use these immunoconjugates and compositions for treating cell proliferation disorders.

  本文公开了如本文所述的新型式 (I) 化合物： 本发明还描述了免疫结合剂（即抗体药物结合剂），其包含与抗原结合分子（如抗体）连接的此类新型化合物；其中此类免疫结合剂可用于治疗细胞增殖性疾病。本发明进一步提供了包含这些免疫共轭物的药物组合物、包含这些免疫共轭物与治疗共用试剂的组合物，以及使用这些免疫共轭物和组合物治疗细胞增殖障碍的方法。
• AURISTATIN DERIVATIVES AND CONJUGATES THEREOF
  申请人：Geierstanger Bernhard Hubert

  公开号：US20170121282A1

  公开（公告）日：2017-05-04

  Disclosed herein are novel compounds of formula (I) as described herein: and the use of such peptides in making immunoconjugates (i.e Antibody Drug Conjugates) Also described herein are immunoconjugates (i.e Antibody Drug Conjugates) comprising such novel compound linked to an antigen binding moiety, such as an antibody; where such immunoconjugates are useful for treating cell proliferative disorders. The invention further provides pharmaceutical compositions comprising these immunoconjugates, compositions comprising the immunoconjugates with a therapeutic co-agent, and methods to use these immunoconjugates and compositions for treating cell proliferation disorders.
• CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF
  申请人：NOVARTIS AG

  公开号：US20180155281A1

  公开（公告）日：2018-06-07

  Disclosed herein are novel compounds of formula (I) as described herein: and the use of such peptides in making immunoconjugates (i.e Antibody Drug Conjugates) Also described herein are immunoconjugates (i.e Antibody Drug Conjugates) comprising such novel compound linked to an antigen binding moiety, such as an antibody; where such immunoconjugates are useful for treating cell proliferative disorders. The invention further provides pharmaceutical compositions comprising these immunoconjugates, compositions comprising the immunoconjugates with a therapeutic co-agent, and methods to use these immunoconjugates and compositions for treating cell proliferation disorders.
• US9884817B2
  申请人：——

  公开号：US9884817B2

  公开（公告）日：2018-02-06
• US9988420B2
  申请人：——

  公开号：US9988420B2

  公开（公告）日：2018-06-05