benzyl 2(R),4-dimethylpentanoate | 125427-70-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzyl 2(R),4-dimethylpentanoate
• 英文别名: benzyl (2R)-2,4-dimethylpentanoate
• CAS: 125427-70-5
• 化学式: C₁₄H₂₀O₂
• 分子量: 220.312
• InChiKey: DYHHCEJMJQPYQC-GFCCVEGCSA-N

物化性质

• 沸点：
  284.8±9.0 °C(Predicted)
• 密度：
  0.976±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,4-Dimethyl-pent-3-enoic acid (3aR,5R,6S,6aR)-5-((R)-2,2-dimethyl-[1,3]dioxolan-4-yl)-2,2-dimethyl-tetrahydro-furo[2,3-d][1,3]dioxol-6-yl ester 在 platinum(IV) oxide titanium(IV) isopropylate 、 氢气 作用下， 以 乙醚 、 甲苯 为溶剂， 120.0 ℃ 、101.33 kPa 条件下， 反应 7.0h， 生成 benzyl 2(R),4-dimethylpentanoate
  参考文献：
  名称：

  Diacetone D-glucose: Efficient chiral building block for asymmetric photodeconjugation

  摘要：

  Irradiation of alpha-substituted, alpha,beta-unsaturated esters of 1,2;5,6-di-O-isopropylidene-alpha-D-glucofuranose leads to the formation of beta,gamma-isomers with high d.e. (up to 98%) whatever the substitution of the chain. A very strong dependence of the nature of the protonating agent upon the selectivity and the configuration of the new chiral center is observed.

  DOI：

  10.1016/s0957-4166(00)80517-0

文献信息

• Diastereoselective photodeconjugation of chiral α,β-unsaturated esters
  作者：Frédéric Bargiggia、Olivier Piva

  DOI：10.1016/s0957-4166(01)00226-9

  日期：2001.6

  Chiral alcohols available in both enantiomeric forms have been tested for the diastereoselective photochemical deconjugation of 2,4-dimethylpentenoic acid esters. (R)-Pantolactone afforded selectively the (2R)-β,γ-unsaturated ester in good yield and high d.e. (89%), while analogous use of (S)-pantolactone gave the (2S)-stereoisomer with similar selectivity.

  已经测试了两种对映体形式的手性醇对2，4-二甲基戊烯酸酯的非对映选择性光化学解偶联。（R）-泛酸内酯选择性地提供（2 R）-β，γ-不饱和酯，收率高且de（89％）高，而类似地使用（S）-泛酸内酯则产生具有相似选择性的（2 S）-立体异构体。
• mTORC1 MODULATION BY AMINO ACIDS AND USES THEREOF
  申请人：WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH

  公开号：US20170027897A1

  公开（公告）日：2017-02-02

  Disclosed herein are methods for modulating mTORC1 activation in cells or a subject, and related compositions, kits, and agents for use in those methods. Also disclosed is the treatment of diseases and conditions characterized by decreased mTORC1 activation.
• Diacetone D-glucose: Efficient chiral building block for asymmetric photodeconjugation
  作者：Olivier Piva、Jean-Pierre Pete

  DOI：10.1016/s0957-4166(00)80517-0

  日期：1992.6

  Irradiation of alpha-substituted, alpha,beta-unsaturated esters of 1,2;5,6-di-O-isopropylidene-alpha-D-glucofuranose leads to the formation of beta,gamma-isomers with high d.e. (up to 98%) whatever the substitution of the chain. A very strong dependence of the nature of the protonating agent upon the selectivity and the configuration of the new chiral center is observed.