3-methoxy-1-(α-naphthyloxy)-propanyl acetate | 253789-44-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-methoxy-1-(α-naphthyloxy)-propanyl acetate
• 英文别名: (1-Methoxy-3-naphthalen-1-yloxypropan-2-yl) acetate
• CAS: 253789-44-5
• 化学式: C₁₆H₁₈O₄
• 分子量: 274.317
• InChiKey: KUIKOHGDVNXMNV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-methoxy-1-(α-naphthyloxy)-propanyl acetate 生成 (R)-3-methoxy-1-(α-naphthyloxy)-propanyl acetate
  参考文献：
  名称：

  Resolution of 3-α-naphthoxy-1,2-propanediol using Candida antarctica lipase

  摘要：

  The stereochemistry of the Candida antarctica lipase B (CALB) catalyzed resolution of diacetate 1 or diol 4 was analyzed. The primary and secondary acetate hydrolyses were studied separately using monoacetates 2 and 3. The enantioselectivity of CALB was found to be lower towards primary rather than secondary acetates/alcohols. The steric course of the process is discussed. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(99)00366-3
• 作为产物：
  描述：

  3-(1-萘氧基)-1,2-环氧丙烷 在 吡啶 、 sodium methylate 作用下， 反应 5.0h， 生成 3-methoxy-1-(α-naphthyloxy)-propanyl acetate
  参考文献：
  名称：

  Resolution of 3-α-naphthoxy-1,2-propanediol using Candida antarctica lipase

  摘要：

  The stereochemistry of the Candida antarctica lipase B (CALB) catalyzed resolution of diacetate 1 or diol 4 was analyzed. The primary and secondary acetate hydrolyses were studied separately using monoacetates 2 and 3. The enantioselectivity of CALB was found to be lower towards primary rather than secondary acetates/alcohols. The steric course of the process is discussed. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(99)00366-3

文献信息

• Resolution of 3-α-naphthoxy-1,2-propanediol using Candida antarctica lipase
  作者：Loreto Salazar、Jose L. Bermudez、Cesar Ramı́rez、Emilio F. Llama、Jose V. Sinisterra

  DOI：10.1016/s0957-4166(99)00366-3

  日期：1999.9

  The stereochemistry of the Candida antarctica lipase B (CALB) catalyzed resolution of diacetate 1 or diol 4 was analyzed. The primary and secondary acetate hydrolyses were studied separately using monoacetates 2 and 3. The enantioselectivity of CALB was found to be lower towards primary rather than secondary acetates/alcohols. The steric course of the process is discussed. (C) 1999 Elsevier Science Ltd. All rights reserved.