3-Hydroxy-6-(hydroxymethyl)oxan-2-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: 3-Hydroxy-6-(hydroxymethyl)oxan-2-one
• 英文别名: 3-hydroxy-6-(hydroxymethyl)oxan-2-one
• 化学式: C₆H₁₀O₄
• 分子量: 146.14
• InChiKey: UXSMXIDGANZLDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• [EN] NOVEL PIPECOLIC ACID CO-CRYSTALS OF DAPAGLIFLOZIN AND PROCESS FOR THE PREPARATION THEREOF<br/>[FR] NOUVEAU CO-CRISTAUX D'ACIDE PIPÉCOLIQUE DE DAPAGLIFLOZINE ET LEUR PROCÉDÉ DE PRÉPARATION
  申请人：HARMAN FINOCHEM LTD

  公开号：WO2017060925A1

  公开（公告）日：2017-04-13

  The present invention discloses the process for preparation of (2S,3R,4R,5S,6R)- 2-[4-chloro-3-(4-ethoxybenzyl)phenyl]-6-(hydroxymethyl)tetrahydro-2H-pyran- 3,4,5-trioland its amorphous form. The invention further discloses novelco- crystals of dapagliflozin,and process for preparation thereof. The invention further discloses novel intermediateAcetic acid 4,5-diacetoxy-6-acetoxymethyl-2-R1-2- [4-chloro-3-(4-ethoxy-benzyl)-phenyl]-tetrahydro-pyran-3-yl ester, wherein R1 is allyl or 2-prop-2ynyl useful for preparation 2-R1-2-[4-Chloro-3-(4-ethoxy- benzyl)-phenyl]-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol.

  本发明揭示了制备(2S,3R,4R,5S,6R)-2-[4-氯-3-(4-乙氧基苯基)苄基]苯基]-6-(羟甲基)四氢-2H-吡喃-3,4,5-三醇及其非晶态形式的过程。本发明还揭示了达格列净的新型共晶体及其制备方法。本发明还揭示了新型中间体乙酸4,5-二乙酰氧基-6-乙酰氧甲基-2-R1-2-[4-氯-3-(4-乙氧基苯基)苄基]-四氢-吡喃-3-基酯，其中R1为烯丙基或2-丙-2-炔基，用于制备2-R1-2-[4-氯-3-(4-乙氧基苯基)苄基]-6-羟甲基-四氢-吡喃-3,4,5-三醇。
• [EN] A NOVEL PIPECOLIC ACID CO-CRYSTAL OF CANAGLIFLOZIN AND PROCESS FOR THE PREPARATION THEREOF<br/>[FR] NOUVEAU CO-CRISTAL D'ACIDE PIPÉCOLIQUE DE CANAGLIFLOZINE ET SON PROCÉDÉ DE PRÉPARATION
  申请人：HARMAN FINOCHEM LTD

  公开号：WO2017060924A1

  公开（公告）日：2017-04-13

  The present invention discloses the process for preparation of (2S,3R,4R,5S,6R)- 2-3-[5-[4-Fluoro-phenyl)-thiophen-2-ylmethyl]-4-methyl-phenyl}-6- hydroxymethyl-tetrahydro-pyran-3,4,5-triol and its pipecolic acid co-crystal. The invention also discloses novel intermediate, acetic acid 4, 5-diacetoxy-6- acetoxymethyl-2-R1-2-3-[5-(4-fluoro-phenyl)-thiophen-2-ylmethyl]-4-methyl- phenyl}-tetrahydro-pyran-3-yl ester, wherein, R1 is allyl or prop-2-ynyl, as an intermediate for the preparation of 4, 5-diacetoxy-6-acetoxymethyl-2-R1-2-3-[5- (4-fluoro-phenyl)-thiophen-2-ylmethyl]-4-methyl-phenyl}-tetrahydro-pyran-3-yl ester, wherein, R1 is allyl or prop-2-ynyl.

  本发明公开了制备(2S,3R,4R,5S,6R)-2-3-[5-[4-氟苯基)-噻吩-2-基甲基]-4-甲基苯基}-6-羟甲基-四氢吡喃-3,4,5-三醇及其吡啶氨酸共晶体的过程。本发明还公开了一种新的中间体，即乙酸4,5-二乙酰氧基-6-乙酰氧甲基-2-R1-2-3-[5-(4-氟苯基)-噻吩-2-基甲基]-4-甲基苯基}-四氢吡喃-3-酯，其中，R1为烯丙基或丙-2-炔基，作为制备4,5-二乙酰氧基-6-乙酰氧甲基-2-R1-2-3-[5-(4-氟苯基)-噻吩-2-基甲基]-4-甲基苯基}-四氢吡喃-3-酯的中间体，其中，R1为烯丙基或丙-2-炔基。