3-甲基-2-苯氧基丁酰氯 | 65118-10-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 3-甲基-2-苯氧基丁酰氯
• 中文别名: 3-甲基-2-苯氧丁酰氯
• 英文名称: 3-methyl-2-phenoxy-butanoyl chloride
• 英文别名: isopropylphenoxyacetyl chloride；α-phenoxy-isovaleryl chloride；α-Phenoxy-isovaleriansaeure-chlorid；Iso-Propylphenoxyacetyl Chloride；3-methyl-2-phenoxybutanoyl chloride
• CAS: 65118-10-7
• 化学式: C₁₁H₁₃ClO₂
• mdl: MFCD02262198
• 分子量: 212.676
• InChiKey: WOKLTCPOXPCYSM-UHFFFAOYSA-N

物化性质

• 稳定性/保质期：

  远离氧化物、碱、水分和潮湿。

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  8
• 海关编码：
  2918990090
• 包装等级：
  II
• 危险类别：
  8
• 危险品运输编号：
  UN3265

反应信息

• 作为反应物：
  描述：

  3-甲基-2-苯氧基丁酰氯 在 氯化亚砜 、 potassium acetate 作用下， 以 四氯化碳 、 乙醚 为溶剂， 反应 18.0h， 生成 4-methyl-3-phenoxy-3-penten-2-one
  参考文献：
  名称：

  Nucleophilic substitutions of α-halo-ketones-XXII

  摘要：

  DOI：

  10.1016/s0040-4020(01)91146-9
• 作为产物：
  描述：

  (RS)-2-phenoxyisovaleric acid 在 五氯化磷 作用下， 生成 3-甲基-2-苯氧基丁酰氯
  参考文献：
  名称：

  A Primary Care Intervention for Depression

  摘要：

  Abstract: To assess a guideline‐based intervention's impact on depression care provided in rural vs. urban primary care settings, 12 community primary care practices (four rural, eight urban) were randomized to enhanced (i.e, intervention) and usual care study conditions. The study enrolled 479 depressed patients, with 432 (90.2 percent) completing telephone follow‐up at six months. Multilevel analytic models revealed that rural enhanced care patients had 2.70 times the odds (P=0.02) of rural usual care patients of taking a three‐month course of antidepressant medication at recommended dosages in the six months following baseline; urban enhanced care patients had 2.43 times the odds compared with their urban usual care counterparts (P=0.007). Rural enhanced care patients had 3.00 times the odds of rural usual care patients of making eight or more visits to a mental health specialist for counseling in the six months following baseline (P=0.03). Comparisons of patients in enhanced care practices showed that rural enhanced care patients had 2.00 times the odds (P=0.12) of urban enhanced care patients of making at least one visit to a mental health specialist for counseling in the six months following baseline and had comparable odds to urban enhanced care patients (odds ratio [OR] = 1.06, P=0.77) of making eight or more visits to such specialists during that interval. The study's intervention improved the care received by both rural and urban depressed primary care patients. Moreover, the interventions effect appears to have been greater in rural settings, particularly in terms of increasing depressed rural patients' use of mental health specialists for counseling.

  DOI：

  10.1111/j.1748-0361.2000.tb00482.x

文献信息

• Improved Synthetic Approaches Toward 2′-O-Methyl-Adenosine and Guanosine and Their N-Acyl Derivatives
  作者：Leonid Beigelman、Peter Haeberli、David Sweedler、Alexander Karpeisky

  DOI：10.1016/s0040-4020(00)00002-8

  日期：2000.2

  We developed several improved approaches toward 2′-O-methyl adenosine and guanosine and their N-acyl derivatives. (a) Transglycosylation of N4-acetyl-5′, 3′-di-O-acetyl-2′-O-methyl cytidine with N6-Bz-adenine provided N6-benzoyl-5′3′-di-O-acetyl-2′-O-methyl adenosine in 50% yield. (b) Regioselective methylation of 2-amino-6-chloro purine riboside with MeI/NaH followed by hydrolysis provided 2′-O-Me-guanosine

  我们针对2'- O-甲基腺苷和鸟苷及其N-酰基衍生物开发了几种改进的方法。（a）用N 6 -Bz-腺嘌呤将N 4-乙酰基-5'，3'-二-O-乙酰基-2'- O-甲基胞苷进行糖基化，得到N 6-苯甲酰基-5'3'-二-O -乙酰基-2'- O-甲基腺苷，产率为50％。（b）用MeI / NaH对2-氨基-6-氯嘌呤核糖核苷进行区域选择性甲基化，然后水解，从而以高收率提供了2' - O -Me-鸟苷。相同的2' - O -Me前体被转化为2'- O-Me-腺苷，收率58％。（c）通过5'，3'- O- TIPDSi衍生物的甲基化和选择性的N 2-，将2，6-二氨基嘌呤核糖苷非常有效地转化为N 2-异丁酰基（异丙基苯氧基乙酰基）2' - O - Me-鸟苷。酰化，脱氨基和去甲硅烷基化可提供目标化合物的70％合并收率。（d）N 1 -Bzl-鸟苷的Mg 2+和Ag +定向甲基化以大于80％的产率进行，比率为2'-
• Chemical synthesis of methoxy nucleosides
  申请人：Ribozyme Pharmaceuticals, Inc.

  公开号：US20030204078A1

  公开（公告）日：2003-10-30

  Process for chemical synthesis of methoxy nucleosides.

  甲氧基核苷化合物的化学合成过程。
• Oligonucleotide Incorporation and Base Pair Stability of 9-Deaza-2′-deoxyguanosine, an Analogue of 8-Oxo-2′-deoxyguanosine
  作者：Michelle L. Hamm、Anna J. Parker、Tyler W. E. Steele、Jennifer L. Carman、Carol A. Parish

  DOI：10.1021/jo1010763

  日期：2010.8.20

  DNA and paired with either dC or dA. Melting studies revealed CdG:dC base pairs are less stable than dG:dC base pairs, while CdG:dA base pairs are less stable than OdG:dA base pairs. In order to gain a deeper understanding of these results, quantum studies on model structures of nucleoside monomers and base pairs were performed, the results of which indicate that (i) CdG:dC base pairs are likely destabilized

  9-Deaza-2'-脱氧鸟苷（CdG）是一个C-核苷，是丰富的突变蛋白8-oxo-2'-脱氧鸟苷（OdG）的类似物。像2'-脱氧鸟苷（dG）一样，CdG应与dC形成稳定的碱基对，但与OdG相似，CdG含有N7氢，这应使其也可以与dA形成相对稳定的碱基对。为了进一步研究CdG的碱基配对，将其掺入DNA中并与dC或dA配对。熔解研究显示，CdG：dC碱基对的稳定性低于dG：dC碱基对，而CdG：dA碱基对的稳定性低于OdG：dA碱基对。为了更深入地了解这些结果，对核苷单体和碱基对的模型结构进行了量子研究，结果表明（i）CdG：dC碱基对可能相对于dG不稳定：
• Synthesis of methoxy nucleosides and enzymatic nucleic acid molecules
  申请人：RIBOZYME PHARMACEUTICALS, INC.

  公开号：EP1108724A2

  公开（公告）日：2001-06-20

  This invention relates to chemical synthesis of 2'-O-methyl, 3'-O-methyl and 5'-O-methyl nucleosides, incorporation of novel chemical modifications in enzymatic nucleic acid molecules and improved methods for the synthesis of enzymatic nucleic acid molecules.

  本发明涉及 2'-O-甲基、3'-O-甲基和 5'-O-甲基核苷的化学合成、在酶核酸分子中加入新型化学修饰以及改进酶核酸分子的合成方法。
• Bischoff, Chemische Berichte, 1901, vol. 34, p. 2137
  作者：Bischoff

  DOI：——

  日期：——