2-Chlor-3-oxo-hexansaeure-methylester | 36061-75-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 2-Chlor-3-oxo-hexansaeure-methylester
• 英文别名: Methyl-2-dichlorbutyrylacetat；2-chloro-3-oxo-hexanoic acid methyl ester；Methyl 2-chloro-3-oxohexanoate
• CAS: 36061-75-3
• 化学式: C₇H₁₁ClO₃
• mdl: MFCD16167604
• 分子量: 178.616
• InChiKey: LIKQVUXWHGUOMT-UHFFFAOYSA-N

物化性质

• 沸点：
  92-97 °C(Press: 11 Torr)
• 密度：
  1.141±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.714
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Chlor-3-oxo-hexansaeure-methylester 在 硫酸 作用下， 反应 3.0h， 以78%的产率得到1-chloropentane-2-one
  参考文献：
  名称：

  Kimpe, Norbert De; Cock, Wim De; Schamp, Niceas, Synthesis, 1987, # 2, p. 188 - 190

  摘要：

  DOI：
• 作为产物：
  描述：

  3-氧代己酸甲酯 在 磺酰氯 、 氯仿 作用下， 生成 2-Chlor-3-oxo-hexansaeure-methylester
  参考文献：
  名称：

  The Association Between Glutathione S-Transferase P1 Genotype and Plasma Level in Head and Neck Cancer

  摘要：

  AbstractObjectives/Hypothesis Glutathione S‐transferase P1‐1 (GSTP1‐1) is an important enzyme because it plays a major role in many detoxification reactions, including tobacco‐related metabolic products. GSTP1‐1 is the most abundant of all glutathione S‐transferase (GST) enzymes in normal human head and neck epithelium, whereas it is overexpressed in head and neck malignancies. At least three different GSTP1 genotypes exist, AA, AB, and BB, which have been correlated with reduced enzyme activity. Many authors have studied the GSTP1 genotypes in relation to the risk for human head and neck squamous cell carcinoma (HNSCC). A correlation between GSTP1‐1 genotype and GSTP1‐1 plasma levels has not been made before. We investigated the correlation between GSTP1 genotype and GSTP1‐1 plasma levels.Study Design To evaluate the possible association between the genetic polymorphisms in GSTP1 and the phenotypic expression (GSTP1‐1 plasma levels) in patients with HNSCC.Methods GSTP1 genotype and GSTP1‐1 plasma level were established in 87 patients with HNSCC and 51 patients with benign head and neck lesions who served as control subjects.Results For all GSTP1 genotypes (AA, AB, and BB) in patients with HNSCC, the mean plasma GSTP1‐1 values were significantly higher compared with the control subjects. There was no significant difference in the plasma GSTP1‐1 levels between the different genotypes in patients with HNSCC.Conclusion There is no association between GSTP1 genotype and GSTP1‐1 plasma levels in patients with head and neck cancer.

  DOI：

  10.1097/00005537-200203000-00011

文献信息

• Widely Exploited, Yet Unreported: Regiocontrolled Synthesis and the Suzuki-Miyaura Reactions of Bromooxazole Building Blocks
  作者：Vitalii V. Solomin、Dmytro S. Radchenko、Evgeniy Y. Slobodyanyuk、Oleksandr V. Geraschenko、Bohdan V. Vashchenko、Oleksandr O. Grygorenko

  DOI：10.1002/ejoc.201900032

  日期：2019.5.15

  An approach to synthesis of all isomeric bromooxazoles was optimized and its scope was extended to all three isomeric parents, as well as various alkyl‐ and aryl‐substituted bromooxazoles. The direct regiocontrolled lithiation followed by reaction with electrophilic bromine source was common and led exclusively to the target substituted 2‐, 4‐, and 5‐bromooxazoles on multigram scale. The utility of

  优化了所有异构体溴恶唑的合成方法，并将其范围扩展到所有三个异构体母体，以及各种烷基和芳基取代的溴恶唑。直接区位控制的锂化反应，随后与亲电溴源反应是很常见的现象，并且仅在毫克数范围内导致目标取代的2-，4-和5-溴恶唑。在平行合成条件下，Suzuki-Miyaura交叉偶联反应证明了在这项工作中获得的多功能构建基块的效用。
• DE KIMPE N.; DE COCK W.; SCHAMP N., SYNTHESIS,(1987) N 2, 188-190
  作者：DE KIMPE N.、 DE COCK W.、 SCHAMP N.

  DOI：——

  日期：——
• Kimpe, Norbert De; Cock, Wim De; Schamp, Niceas, Synthesis, 1987, # 2, p. 188 - 190
  作者：Kimpe, Norbert De、Cock, Wim De、Schamp, Niceas

  DOI：——

  日期：——
• The Association Between Glutathione S-Transferase P1 Genotype and Plasma Level in Head and Neck Cancer
  作者：Willem P. A. Kelders、Michael B. Oude Ophuis、Hennie M. J. Roelofs、Wilbert H. M. Peters、Johannes J. Manni

  DOI：10.1097/00005537-200203000-00011

  日期：2002.3

  AbstractObjectives/Hypothesis Glutathione S‐transferase P1‐1 (GSTP1‐1) is an important enzyme because it plays a major role in many detoxification reactions, including tobacco‐related metabolic products. GSTP1‐1 is the most abundant of all glutathione S‐transferase (GST) enzymes in normal human head and neck epithelium, whereas it is overexpressed in head and neck malignancies. At least three different GSTP1 genotypes exist, AA, AB, and BB, which have been correlated with reduced enzyme activity. Many authors have studied the GSTP1 genotypes in relation to the risk for human head and neck squamous cell carcinoma (HNSCC). A correlation between GSTP1‐1 genotype and GSTP1‐1 plasma levels has not been made before. We investigated the correlation between GSTP1 genotype and GSTP1‐1 plasma levels.Study Design To evaluate the possible association between the genetic polymorphisms in GSTP1 and the phenotypic expression (GSTP1‐1 plasma levels) in patients with HNSCC.Methods GSTP1 genotype and GSTP1‐1 plasma level were established in 87 patients with HNSCC and 51 patients with benign head and neck lesions who served as control subjects.Results For all GSTP1 genotypes (AA, AB, and BB) in patients with HNSCC, the mean plasma GSTP1‐1 values were significantly higher compared with the control subjects. There was no significant difference in the plasma GSTP1‐1 levels between the different genotypes in patients with HNSCC.Conclusion There is no association between GSTP1 genotype and GSTP1‐1 plasma levels in patients with head and neck cancer.