3-Methyl-sulfonylpropanolacetat | 26981-50-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 磺酰类
• 英文名称: 3-Methyl-sulfonylpropanolacetat
• 英文别名: 3-Methylsulfonylpropyl acetate；3-methylsulfonylpropyl acetate
• CAS: 26981-50-0
• 化学式: C₆H₁₂O₄S
• 分子量: 180.225
• InChiKey: ZEKUZGRYZKMEDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  68.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-甲硫基丙醇 、 溶剂黄146 在 双氧水 作用下， 生成 3-Methyl-sulfonylpropanolacetat
  参考文献：
  名称：

  Numata,M. et al., Chemical and pharmaceutical bulletin, 1970, vol. 18, p. 221 - 227

  摘要：

  DOI：

文献信息

• [EN] ANTIVIRAL AGENTS<br/>[FR] AGENTS ANTIVIRAUX
  申请人：COMMW SCIENT IND RES ORG

  公开号：WO2001094348A1

  公开（公告）日：2001-12-13

  This invention relates to a compound of general formula (I) wherein: R1 is hydrogen, halogen, hydroxy, azide, optionally substituted alkoxy, optionally substituted aryloxy, mercapto, optionally substituted thio, optionally substituted amino, optionally substituted hydrazino, or optionally substituted seleno; R2 is hydrogen, halogen, hydroxy, azide, mercapto, optionally substituted thio, or optionally substituted amino; R3 is selected from hydrogen, halogen, hydroxy, optionally substituted alkyl, optionally substituted alkoxy, optionally substituted alkenyl, optionally substituted alkenyloxy, optionally substituted alkenyloxyalkyl, mercapto, optionally substituted thio, optionally substituted amino, azide, optionally substituted aryloxy, optionally substituted acyl, optionally substituted acyloxy, carboxylic acid, optionally substituted carboxylic ester, optionally substituted carboxylic amide, optionally substituted thioester, optionally substituted sulphonyl, or -O-alkyl-P(O)(OR5)(OR6) or -O-alkyl-P-alkyl-(O)(OR5), wherein R?5 and R6¿ are independently selected from hydrogen, alkyl, ammonium, triethylammonium or an alkali metal or alkaline earth metal ion; R4 together with the oxygen atom to which it is attached forms a hydroxy group, an ester, a carbonate, a carbamate, or a thiocarbonate and salts thereof or -O-alkyl-P(O)(OR5)(OR6) or -O-alkyl-P-alkyl(O)(OR5)(OR6), wherein R?5 and R6¿ are defined above; and n is an integer from 0 to 3, or salts, derivatives, prodrugs, tautomers and/or isomers thereof.
• Numata,M. et al., Chemical and pharmaceutical bulletin, 1970, vol. 18, p. 221 - 227
  作者：Numata,M. et al.

  DOI：——

  日期：——