2-Hydroxymethyl-3-methyl-but-2-enoic acid tert-butyl ester | 58544-14-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 英文名称: 2-Hydroxymethyl-3-methyl-but-2-enoic acid tert-butyl ester
• 英文别名: Tert-butyl 2-(hydroxymethyl)-3-methylbut-2-enoate
• CAS: 58544-14-2
• 化学式: C₁₀H₁₈O₃
• 分子量: 186.251
• InChiKey: SCBDUKREEFJFGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Hydroxymethyl-3-methyl-but-2-enoic acid tert-butyl ester 、 碘甲烷 生成 2-Hydroxymethyl-2,3-dimethyl-but-3-enoic acid tert-butyl ester
  参考文献：
  名称：

  α，β-不饱和酯的醛醇缩合反应中的排他性γ偶联

  摘要：

  DOI：

  10.1016/s0040-4039(00)91194-8

文献信息

• POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：JNC CORPORATION

  公开号：US20180179443A1

  公开（公告）日：2018-06-28

  A compound represented by formula (1). For example, R 1 , R 2 and R 3 are alkyl having 1 to 15 carbons; ring A 1 and ring A 3 are cyclohexyl or phenyl, ring A 2 is 1,4-cyclohexylene or 1,4-phenylene; Z 1 and Z 2 are a single bond or alkylene having 1 to 10 carbons; a is 0, 1, 2, 3 or 4; c, d and e are 0, 1, 2, 3 or 4; and P 1 to P 3 are a polymerizable group represented by formula (P-1); wherein M 1 and M 2 are hydrogen or alkyl having 1 to 5 carbons; and R 4 is a polar group represented by formulas (1a) to (1c); wherein Sp 5 and Sp 6 are a single bond or alkylene having 1 to 10 carbons; S 1 is >CH—, and S 2 is >C<; and X 1 is —OH.