tert-butyl-(2,6-dichloro-phenyl)-amine | 864365-11-7

• 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: tert-butyl-(2,6-dichloro-phenyl)-amine
• 英文别名: N-tert-butyl-2,6-dichloroaniline
• CAS: 864365-11-7
• 化学式: C₁₀H₁₃Cl₂N
• 分子量: 218.126
• InChiKey: DGEHJGZFVGGVTL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  tert-butyl-(2,6-dichloro-phenyl)-amine 在 过氧化双月桂酰 、 N,N-二甲基苯胺 作用下， 以 1,2-二氯乙烷 、 氯苯 、 乙腈 为溶剂， 反应 6.0h， 生成 1,3-二氯-2-[2-(2,6-二氯苯基)乙基]苯
  参考文献：
  名称：

  An Unusual Radical Smiles Rearrangement

  摘要：

  Radicals derived from N-(alpha-xanthyl)acetanilides or N-(alpha-xanthyl)acetylaminopyridines possessing a substituent next to the nitrogen undergo a hitherto undocumented Smiles rearrangement proceeding through a four-membered ring. It was also found that under certain conditions the amidyl radical produced by cleavage of the four-membered ring intermediate can undergo fragmentation to give an isocyanate. Such fragmentations are unprecedented at temperatures corresponding to refluxing benzene or chlorobenzene.

  DOI：

  10.1021/ol051568l
• 作为产物：
  描述：

  叔丁基三氯乙酰亚胺酯 、 2,6-二氯苯胺 在 三氟化硼乙醚 作用下， 以 环己烷 为溶剂， 以66%的产率得到tert-butyl-(2,6-dichloro-phenyl)-amine
  参考文献：
  名称：

  An Unusual Radical Smiles Rearrangement

  摘要：

  Radicals derived from N-(alpha-xanthyl)acetanilides or N-(alpha-xanthyl)acetylaminopyridines possessing a substituent next to the nitrogen undergo a hitherto undocumented Smiles rearrangement proceeding through a four-membered ring. It was also found that under certain conditions the amidyl radical produced by cleavage of the four-membered ring intermediate can undergo fragmentation to give an isocyanate. Such fragmentations are unprecedented at temperatures corresponding to refluxing benzene or chlorobenzene.

  DOI：

  10.1021/ol051568l

文献信息

• Androgen Receptor Modulators
  申请人：Wang Jiabing

  公开号：US20070269405A1

  公开（公告）日：2007-11-22

  Compounds of structural Formula (I) are modulators of the androgen receptor (AR) in a tissue selective manner These compounds are useful in the enhancement of weakened muscle tone and the treatment of conditions caused by androgen deficiency or which can be ameliorated by androgen administration, including osteoporosis, osteopenia, glucocorticoid-induced osteoporosis, periodontal disease, bone fracture, bone damage following bone reconstructive surgery, sarcopenia, frailty, aging skin, male hypogonadism, postmenopausal symptoms in women, atherosclerosis, hypercholesterolemia, hyperlipidemia, obesity, aplastic anemia and other hematopoietic disorders, inflammatory arthritis and joint repair, HIV-wasting, prostate cancer, benign prostatic hyperplasia (BPH), abdominal adiposity, metabolic syndrome, type II diabetes, cancer cachexia, Alzheimer's disease, muscular dystrophies, cognitive decline, sexual dysfunction, sleep apnea, depression, premature ovarian failure, and autoimmune disease, alone or in combination with other active agents.

  结构式（I）的化合物以组织选择性的方式调节雄激素受体（AR），在增强肌肉张力和治疗由雄激素缺乏引起的或可以通过雄激素治疗改善的疾病中有用，包括骨质疏松症，骨质疏松症，糖皮质激素诱导的骨质疏松症，牙周病，骨折，骨重建手术后的骨损伤，肌肉萎缩，虚弱，老化皮肤，男性性腺功能减退，女性绝经后症状，动脉粥样硬化，高胆固醇血症，高脂血症，肥胖症，再生障碍性贫血和其他造血系统疾病，炎性关节炎和关节修复，艾滋病浪费，前列腺癌，良性前列腺增生症（BPH），腹部脂肪堆积，代谢综合征，2型糖尿病，癌症恶病质，阿尔茨海默病，肌肉萎缩症，认知能力下降，性功能障碍，睡眠呼吸暂停，抑郁症，早发卵巢衰竭和自身免疫疾病，单独或与其他活性药物联合使用。
• Crf Receptor Antagonists and Methods
  申请人：Luo Zhiyong

  公开号：US20070293511A1

  公开（公告）日：2007-12-20

  CRF receptor antagonists are disclosed which have utility in the treatment of a variety of disorders, including the treatment of disorders manifesting hypersecretion of CRF in a warm-blooded animals, such as stroke. The CRF receptor antagonists of this invention have the following structure: including stereoisomers, prodrugs and pharmaceutically acceptable salts thereof, wherein R 1 , R 2 , R 3 , Y, Ar, and Het are as defined herein. Compositions containing a CRF receptor antagonist in combination with a pharmaceutically acceptable carrier are also disclosed, as well as methods for use of the same.

  本发明揭示了具有治疗多种疾病的用途的CRF受体拮抗剂，包括治疗在恒温动物中表现为CRF过度分泌的疾病，如中风。本发明的CRF受体拮抗剂具有以下结构：包括立体异构体、前药和药学上可接受的盐，其中R1、R2、R3、Y、Ar和Het的定义如本文所述。还揭示了含有CRF受体拮抗剂和药学上可接受的载体的组合物，以及使用它们的方法。
• US7482359B2
  申请人：——

  公开号：US7482359B2

  公开（公告）日：2009-01-27
• US7504391B2
  申请人：——

  公开号：US7504391B2

  公开（公告）日：2009-03-17
• An Unusual Radical Smiles Rearrangement
  作者：Eric Bacqué、Myriem El Qacemi、Samir Z. Zard

  DOI：10.1021/ol051568l

  日期：2005.8.1

  Radicals derived from N-(alpha-xanthyl)acetanilides or N-(alpha-xanthyl)acetylaminopyridines possessing a substituent next to the nitrogen undergo a hitherto undocumented Smiles rearrangement proceeding through a four-membered ring. It was also found that under certain conditions the amidyl radical produced by cleavage of the four-membered ring intermediate can undergo fragmentation to give an isocyanate. Such fragmentations are unprecedented at temperatures corresponding to refluxing benzene or chlorobenzene.