3-庚酮,5-羟基-2,2-二甲基- | 138101-89-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-庚酮,5-羟基-2,2-二甲基-
• 英文名称: 5-hydroxy-2,2-dimethyl-heptan-3-one
• 英文别名: 5-hydroxy-2,2-dimethyl-3-heptanone；5-Hydroxy-2,2-dimethylheptan-3-one
• CAS: 138101-89-0
• 化学式: C₉H₁₈O₂
• 分子量: 158.241
• InChiKey: RVTGNEOGAKBRHN-UHFFFAOYSA-N

物化性质

• 沸点：
  232.5±13.0 °C(Predicted)
• 密度：
  0.919±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-庚酮,5-羟基-2,2-二甲基- 在 盐酸 、 potassium cyanide 、 lithium aluminium tetrahydride 、 18-冠醚-6 作用下， 以 乙醚 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  On the diastereoselectivity of cyanide addition to β-hydroxyketones: One-pot synthesis of syn β-hydroxycyanohydrins and anti 2,4-dihydroxyamides

  摘要：

  DOI：

  10.1016/s0040-4020(01)85299-6
• 作为产物：
  描述：

  频哪酮 、 丙醛 在 lithium diisopropyl amide 作用下， 生成 3-庚酮,5-羟基-2,2-二甲基-
  参考文献：
  名称：

  On the diastereoselectivity of cyanide addition to β-hydroxyketones: One-pot synthesis of syn β-hydroxycyanohydrins and anti 2,4-dihydroxyamides

  摘要：

  DOI：

  10.1016/s0040-4020(01)85299-6

文献信息

• 1,3-Allylic Strain as a Control Element in the Paternò−Büchi Reaction of Chiral Silyl Enol Ethers:  Synthesis of Diastereomerically Pure Oxetanes Containing Four Contiguous Stereogenic Centers
  作者：Thorsten Bach、Kai Jödicke、Kristian Kather、Roland Fröhlich

  DOI：10.1021/ja963827v

  日期：1997.3.1

  The facial diastereoselectivity in the Patemo-Buchi reaction of chiral silyl enol ethers and benzaldehyde was studied. The substituents (R(S), R(L)) at the stereogenic carbon atom (-C*HR(S)R(L)) attached to the beta-position of the silyl enol ether were varied in order to evaluate the influence of steric bulk and electronic effects. The combined yields for the two diastereomeric 3-(silyloxy)oxetanes a and b. range between 44% and 76%. In accordance with the 1,3-allylic strain model the facial diastereoselectivity (diastereomeric ratio (dr) = alb) was best with large(R(L) = t-Bu, SiMe(2)Ph) and polar (R(L) = OMe) substituents at the gamma-position of the silyl enol ether (dr up to >95/5). Two regioselective ring opening reactions were applied to the product oxetanes 29a, 50, and 51. They furnished diastereomerically pure diols (52, 53) and triols (31) in excellent yields.
• Highly diastereoselective addition of cyanide to β-hydroxyketones
  作者：Ernesto Brunet、Manohar Singh Batra、Francisco J. Aguilar、José Luis García Ruano

  DOI：10.1016/s0040-4039(00)92403-1

  日期：1991.9

  The addition of cyanide with KCN/ZnI2/TMSCN to beta-hydroxyketones (R1-CHOH-CO-R2, R1 = i-Pr, R2 = Me, Et, i-Bu, i-Pr, t-Bu, R1 = Et, R2 = t-Bu and R1 = Bn, Ph, R2 = i-Bu) produced syn beta-hydroxycyanohydrins in 95% d.e.
• Batra Manohar Singh, Aguilar Francisco J., Brune Ernesto, Tetrahedron, 50 (1994) N 27, S 8169-8184
  作者：Batra Manohar Singh, Aguilar Francisco J., Brune Ernesto

  DOI：——

  日期：——
• POSITIVE PHOTOSENSITIVE RESIN COMPOSITION AND METHOD FOR FORMING PATTERNS BY USING THE SAME
  申请人：LIU Chi-Ming

  公开号：US20120328799A1

  公开（公告）日：2012-12-27

  A photosensitive resin composition and a method for forming patterns by using the same are disclosed. The photosensitive resin composition comprises a novolac resin (A), an ortho-naphthoquinone diazide sulfonic acid ester (B) and a ketol solvent (C). The novolac resin (A) includes a high-ortho novolac resin (A-1) that has ortho-ortho methylene bonding to all methylene bonding in a ratio of 18% to 25%, and a weight ratio (A-1)/(C) of the high-ortho novolac resin (A-1) to the ketol solvent (C) is 0.1 to 2.0, thereby exhibiting excellent temporal stability and further forming patterns with superior film to thickness uniformity and high resolution.
• On the diastereoselectivity of cyanide addition to β-hydroxyketones: One-pot synthesis of syn β-hydroxycyanohydrins and anti 2,4-dihydroxyamides
  作者：Manohar Singh Batra、Francisco J. Aguilar、Ernesto Brunet

  DOI：10.1016/s0040-4020(01)85299-6

  日期：——