2,6-di(1-methylethyl)-3-methylpyridine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2,6-di(1-methylethyl)-3-methylpyridine
• 英文别名: 3-Methyl-2,6-di(propan-2-yl)pyridine
• 化学式: C₁₂H₁₉N
• 分子量: 177.29
• InChiKey: XSWAKGHWHNTMKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-甲基-3-戊酮 、 2-碘苯-1-磺酰胺 在 氨 、 氢化钾 、 ferric nitrate 作用下， 反应 0.33h， 以9%的产率得到3-(1-methylethyl)-4-methyl-2H-1,2-benzothiazine 1,1-dioxide
  参考文献：
  名称：

  在S RN 1条件下通过2-碘代苯磺酰胺与酮烯醇酸酯的异环化反应合成2 H -1,2-苯并噻嗪1,1-二氧化物§

  摘要：

  2-碘苯磺酰胺（1a）在液态NH 3中与衍生自丙酮，频哪酮，丁酮和3-甲基-2-丁酮的烯醇钾进行光刺激的S RN 1反应，以公平地获得良好的2 H -1,2-收率。苯并噻嗪1,1-二氧化物2。发现1a的还原脱卤作用在1a与3-戊酮，2-甲基-3-戊酮和2,4-二甲基-3-戊酮的光诱导反应中占主导地位，还原程度与β-氢原子数量成正比。酮烯醇中存在的原子。2,4-二甲基-3-戊酮-d 14（24的同位素标记研究）证实了β-氢在还原过程中的主要作用。的反应1A与环戊酮，环己酮，并得到新的三环苯并噻嗪衍生物环辛烯醇化物26 - 29。尝试通过1a与乙酸叔丁酯和乙酸乙酯的反应将杂环化反应扩展到制备2 H -1,2-苯并噻嗪-3（4 H）-1 1,1-二氧化物3（R = H，Ph）苯乙酸烯醇盐仅导致1a的加氢脱卤。但是，恶唑啉阴离子30（苯乙酸乙酯的合成当量）已成功用于替代S基于RN 1的苯并噻嗪3的合成（R

  DOI：

  10.1021/jo050964e

文献信息

• COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES
  申请人：Che Qinglin

  公开号：US20110052643A1

  公开（公告）日：2011-03-03

  The invention relates to certain fused ring compounds, or pharmaceutically acceptable salts thereof, that are useful as immunosuppressive agents and for treating and preventing inflammatory conditions, allergic disorders, and immune disorders.
• MK2 INHIBITORS AND USES THEREOF
  申请人：Xinthera, Inc.

  公开号：US20220402892A1

  公开（公告）日：2022-12-22

  Described herein are MK2 inhibitors and pharmaceutical compositions comprising said inhibitors. The subject compounds and compositions are useful for the treatment of autoimmune disorders, chronic inflammatory disorders, acute inflammatory disorders, auto-inflammatory disorders, fibrotic disorders, metabolic disorders, neoplastic disorders, and cardiovascular or cerebrovascular disorders.
• [EN] GNRH ANTAGONISTS FOR THE TREATMENT OF ESTROGEN-DEPENDENT DISORDERS<br/>[FR] ANTAGONISTES DE GNRH POUR LE TRAITEMENT DE TROUBLES DÉPENDANT DES ŒSTROGÈNES
  申请人：OBSEVA SA

  公开号：WO2021023876A1

  公开（公告）日：2021-02-11

  The present disclosure provides compositions and methods for treating estrogen-dependent disorders, such as disorders of the female reproductive system, including uterine fibroids and endometriosis, among others. Compounds described herein that may be used to treat such indications include gonadotropin-releasing hormone (GnRH) antagonists. Suitable GnRH antagonists useful in conjunction with the compositions and methods described herein include thieno[3,4d]pyrimidine derivatives, such as 3-[2-fluoro-5-(2,3-difluoro-6-methoxybenzyloxy)4-methoxyphenyl]-2,4-dioxo-1,2,3,4- tetrahydrothieno [3,4d]pyrimidine-5-carboxylic acid and the choline salt thereof, among others. Using the compositions and methods described herein, GnRH antagonists may be periodically administered to a patient, such as one or more times per day, week, or month, over the course of an extended treatment period, such as a treatment period having a duration of multiple years. Advantageously, using the compositions and methods of the present disclosure, the GnRH antagonist may be administered to a patient over a lengthy treatment period without inducing adverse side effects, such as a loss in bone mineral density, which is otherwise known to be a risk associated with GnRH antagonism.
• Synthesis of 2<i>H</i>-1,2-Benzothiazine 1,1-Dioxides via Heteroannulation Reactions of 2-Iodobenzenesulfonamide with Ketone Enolates under S_RN1 Conditions
  作者：William J. Layman,、Thomas D. Greenwood、Aaron L. Downey、James F. Wolfe

  DOI：10.1021/jo050964e

  日期：2005.11.1

  reaction to the preparation of 2H-1,2-benzothiazin-3(4H)-one 1,1-dioxides 3 (R = H, Ph) through reactions of 1a with tert-butyl acetate and ethyl phenylacetate enolates resulted only in hydrodehalogenation of 1a. However, oxazoline anion 30, a synthetic equivalent of ethyl phenylacetate, was successfully employed in an alternative SRN1-based synthesis of benzothiazine 3 (R = Ph).

  2-碘苯磺酰胺（1a）在液态NH 3中与衍生自丙酮，频哪酮，丁酮和3-甲基-2-丁酮的烯醇钾进行光刺激的S RN 1反应，以公平地获得良好的2 H -1,2-收率。苯并噻嗪1,1-二氧化物2。发现1a的还原脱卤作用在1a与3-戊酮，2-甲基-3-戊酮和2,4-二甲基-3-戊酮的光诱导反应中占主导地位，还原程度与β-氢原子数量成正比。酮烯醇中存在的原子。2,4-二甲基-3-戊酮-d 14（24的同位素标记研究）证实了β-氢在还原过程中的主要作用。的反应1A与环戊酮，环己酮，并得到新的三环苯并噻嗪衍生物环辛烯醇化物26 - 29。尝试通过1a与乙酸叔丁酯和乙酸乙酯的反应将杂环化反应扩展到制备2 H -1,2-苯并噻嗪-3（4 H）-1 1,1-二氧化物3（R = H，Ph）苯乙酸烯醇盐仅导致1a的加氢脱卤。但是，恶唑啉阴离子30（苯乙酸乙酯的合成当量）已成功用于替代S基于RN 1的苯并噻嗪3的合成（R