(4R,6S)-氰甲基-2,2-二甲基-1,3-二氧六环-4-乙酸叔丁酯 | 196085-84-4

• 物质功能分类: 分析化学 - 标准品 - 药典标准品和杂质标准品
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: (4R,6S)-氰甲基-2,2-二甲基-1,3-二氧六环-4-乙酸叔丁酯
• 英文名称: tert-Butyl 2-((4R,6S)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate
• 英文别名: tert-butyl 2-[(4R,6S)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
• CAS: 196085-84-4
• 化学式: C₁₄H₂₃NO₄
• 分子量: 269.34
• InChiKey: DPNRMEJBKMQHMC-WDEREUQCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  68.6
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• PROCESS FOR THE PREPARATION OF NITRILE COMPOUNDS
  申请人：Avecia Limited

  公开号：EP1404646A2

  公开（公告）日：2004-04-07
• Process for the preparation of nitrile compounds
  申请人：——

  公开号：US20040254391A1

  公开（公告）日：2004-12-16

  A process is provided for the preparation of a compound of Formula (1) 1 wherein: R 1 is H, optionally substituted acyl, optionally substituted alkyl, optionally substituted aryl or optionally substituted heteroaryl: R 2 and R 3 each independently are H or a hydroxy protecting group; comprising the steps: (a) reacting a compound of Formula (2) 2 in a solvent in the presence of a base with a compound of formula R 4 SO 2 X to give a compound of Formula (3); 3 wherein: R 4 is an optionally substituted alkyl, optionally substituted aryl or optionally substituted heteroaryl group; and X is halogen: and (b) reacting the compound of Formula (3) with a cyanide source in the presence of a phase transfer catalyst.
• [EN] PROCESS FOR THE PREPARATION OF NITRILE COMPOUNDS<br/>[FR] FABRICATION DE COMPOSES NITRILE
  申请人：AVECIA LTD

  公开号：WO2003004459A2

  公开（公告）日：2003-01-16

  A process is provided for the preparation of a compound of Formula (1) wherein: R1 is H, optionally substituted acyl, optionally substituted alkyl, optionally substituted aryl or optionally substituted heteroaryl: R² and R³ each independently are H or a hydroxy protecting group; comprising the steps: (a) reacting a compound of Formula (2) in a solvent in the presence of a base with a compound of formula R4SO2X to give a compound of Formula (3); wherein: R4 is an optionally substituted alkyl, optionally substituted aryl or optionally substituted heteroaryl group; and X is halogen: and (b) reacting the compound of Formula (3) with a cyanide source in the presence of a phase transfer catalyst.