5-hydroxy-6-methyl-heptan-2-one | 1115-86-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-hydroxy-6-methyl-heptan-2-one
• 英文别名: ε-Oxy-β-oxo-ζ-methyl-heptan；2-Methyl-heptanol-(3)-on-(6)；5-Hydroxy-6-methyl-heptan-2-on；5-Hydroxy-6-methylheptan-2-one
• CAS: 1115-86-2
• 化学式: C₈H₁₆O₂
• 分子量: 144.214
• InChiKey: VWEXEHRUDBDVEF-UHFFFAOYSA-N

物化性质

• 沸点：
  101 °C(Press: 16 Torr)
• 密度：
  0.924±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-hydroxy-6-methyl-heptan-2-one 、 alkaline earth salt of/the/ methylsulfuric acid 生成 6-甲基-5-庚烯-2-酮
  参考文献：
  名称：

  Verley, Bulletin de la Societe Chimique de France, 1897, vol. <3>17, p. 175

  摘要：

  DOI：
• 作为产物：
  描述：

  6-甲基-5-庚烯-2-酮 在 硫酸 作用下， 生成 2-hydroxy-2,6,6-trimethyltetrahydropyran 、 5-hydroxy-6-methyl-heptan-2-one
  参考文献：
  名称：

  Verley, Bulletin de la Societe Chimique de France, 1897, vol. <3>17, p. 175

  摘要：

  DOI：

文献信息

• POLYMORPH OF DPPIV INHIBITOR MALEATE AND PREPARATION METHOD THEREFOR
  申请人：Shanghai Institute of Materia Medica, Chinese Academy of Sciences

  公开号：EP3434677A1

  公开（公告）日：2019-01-30

  A polymorph of (R)methyl-2-(3-aminopiperidin-1-yl)-3-(2-cyanobenzyl)-4-carbonyl-3,4-dihydrothioph ene[3,2-d]pyrimidine-6-carboxylic acid maleate and a preparation method therefor. The polymorph is a crystal having high stability and low hygroscopicity, and the crystal form is selected from crystal form A, crystal form B and crystal form C. Furthermore, the crystal form has a strong in-vivo hypoglycemic activity and can be used for the preparation of a novel drug for the treatment or prevention of diabetes mellitus type H and/or complications of diabetes mellitus type H.

  一种(R)甲基-2-(3-氨基哌啶-1-基)-3-(2-氰基苄基)-4-羰基-3,4-二氢噻吩并[3,2-d]嘧啶-6-羧酸马来酸盐的多晶型及其制备方法。此外，该晶体具有较强的体内降糖活性，可用于制备治疗或预防 H 型糖尿病和/或 H 型糖尿病并发症的新型药物。
• Crystal form A of compound and preparation method thereof
  申请人：SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

  公开号：US10392401B2

  公开（公告）日：2019-08-27

  The present invention relates to crystal form A of a compound. The present invention also discloses a preparation method and a pharmaceutical composition of the crystal form A. The crystal form A has strong hypoglycemic activity in vivo and is expected to be a novel pharmaceutically active ingredient for treating or preventing type II diabetes and/or complications of type II diabetes.

  本发明涉及一种化合物的晶型A。本发明还公开了该晶体形式 A 的制备方法和药物组合物。该晶体形式 A 在体内具有很强的降血糖活性，有望成为治疗或预防 II 型糖尿病和/或 II 型糖尿病并发症的新型药物活性成分。
• Polymorph of DPPIV inhibitor maleate and preparation method therefor
  申请人：SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

  公开号：US10640514B2

  公开（公告）日：2020-05-05

  The invention describes a polymorph of (R)-methyl-2-(3-aminopiperidin-1-yl)-3-(2-cyanobenzyl)-4-carbonyl-3,4-dihydrothiophene[3,2-d]pyrimidine-6-carboxylic acid maleate and a preparation method therefor. The polymorph is a crystal having high stability and low hygroscopicity, and the crystal form is selected from crystal form A, crystal form B and crystal form C. Furthermore, the crystal form has a strong in-vivo hypoglycemic activity and can be used for the preparation of a novel drug for the treatment or prevention of diabetes mellitus type H and/or complications of diabetes mellitus type H.

  本发明描述了(R)-甲基-2-(3-氨基哌啶-1-基)-3-(2-氰基苄基)-4-甲酰基-3,4-二氢噻吩并[3,2-d]嘧啶-6-羧酸马来酸盐的多晶型及其制备方法。此外，该晶体具有很强的体内降糖活性，可用于制备治疗或预防 H 型糖尿病和/或 H 型糖尿病并发症的新型药物。
• CRYSTAL FORM A OF COMPOUND AND PREPARATION METHOD THEREOF
  申请人：Shanghai Institute of Materia Medica, Chinese Academy of Sciences

  公开号：EP3257856B1

  公开（公告）日：2020-04-08
• ACOUSTIC TWEEZERS
  申请人：Centre National de la Recherche Scientifique (CNRS)

  公开号：EP3430463A1

  公开（公告）日：2019-01-23