Diethyl 2-[2-(4-acetamido-4-octylcyclohexa-1,5-dien-1-yl)ethyl]propanedioate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Diethyl 2-[2-(4-acetamido-4-octylcyclohexa-1,5-dien-1-yl)ethyl]propanedioate
• 英文别名: diethyl 2-[2-(4-acetamido-4-octylcyclohexa-1,5-dien-1-yl)ethyl]propanedioate
• 化学式: C₂₅H₄₁NO₅
• 分子量: 435.6
• InChiKey: OPYKMPNXFBTZND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  31
• 可旋转键数：
  17
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  81.7
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• A PROCESS FOR THE PREPARATION OF 2-AMINO-1,3-PROPANE DIOL COMPOUNDS AND SALTS THEREOF
  申请人：Biocon Limited

  公开号：EP2964210A2

  公开（公告）日：2016-01-13
• [EN] A PROCESS FOR THE PREPARATION OF 2-AMINO-1,3-PROPANE DIOL COMPOUNDS AND SALTS THEREOF<br/>[FR] PROCÉDÉ POUR LA PRÉPARATION DE COMPOSÉS DE 2-AMINO-1,3-PROPANEDIOL ET DE SELS DE CEUX-CI
  申请人：BIOCON LTD

  公开号：WO2014136047A2

  公开（公告）日：2014-09-12

  The present disclosure relates to processes for the preparation of 2-amino-1,3-propane diol compounds and their hydrochloride salts. Particularly, the present disclosure relates to processes for synthesizing 2-amino-2-(2-(4-octylphenyl)ethyl)-1,3- propanediol and its hydrochloride salt 2-amino-2-(2-(4-octylphenyl)ethyl)-1,3- propanediol hydrochloride respectively. The said process is safe, commercially feasible for large-scale synthesis and has improved efficacy along with many other advantages. The present disclosure also relates to the novel polymorphs of 2-amino- 1,3-propane diol compound and its hydrochloride salt, where in 2-amino-1,3-propane diol compound is 2-amino-2-(2-(4-octylphenyl)ethyl)-1,3-propanediol, and its hydrochloride salt is 2-amino-2-(2-(4-octylphenyl)ethyl)-1,3-propanediol hydrochloride.