Ethyl 2-<1-(6-methoxynaphthyl)>acetate | 99416-98-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: Ethyl 2-<1-(6-methoxynaphthyl)>acetate
• 英文别名: ethyl<1-(6-methoxynaphthyl)>acetate；ethyl 6-methoxy-1-naphthaleneacetate；ethyl 6-methoxynaphthalene-1-acetate；<6-Methoxy-naphthyl-(1)>-essigsaeure-aethylester；Ethyl 2-(6-methoxynaphthalen-1-yl)acetate
• CAS: 99416-98-5
• 化学式: C₁₅H₁₆O₃
• 分子量: 244.29
• InChiKey: RKUXWIFSPQZDBE-UHFFFAOYSA-N

物化性质

• 沸点：
  370.4±17.0 °C(Predicted)
• 密度：
  1.126±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Ethyl 2-<1-(6-methoxynaphthyl)>acetate 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 0.5h， 以99%的产率得到2-<1-(6-methoxynaphthyl)>ethanol
  参考文献：
  名称：

  New synthetic approaches to cyclopenta[a]phenanthrenes and their carcinogenic derivatives

  摘要：

  DOI：

  10.1021/jo00253a017
• 作为产物：
  描述：

  2-(6-methoxy-3,4-dihydro-naphthalen-1-yl)-acetic acid ethyl ester 在 1,1-二苯乙烯 、 palladium on activated charcoal 、 甲基萘 作用下， 反应 3.0h， 生成 Ethyl 2-<1-(6-methoxynaphthyl)>acetate
  参考文献：
  名称：

  Methoxybenzo[a]pyrene 4,5-oxides labeled with carbon-13: electronic effects in the NIH shift

  摘要：

  DOI：

  10.1021/jo00350a024

文献信息

• Derivatives of 2-aminoalkyl-5-arylalkyl-1,3-dioxanes, their preparation
  申请人：Synthelabo

  公开号：US05192797A1

  公开（公告）日：1993-03-09

  A compound which is a 2-aminoalkyl-5-arylalkyl-1,3-dioxane of general formula (I) ##STR1## in which m represents 0 or 1; n represents 1, 2, 3 or 4; R.sub.1 represents hydrogen or methyl; R.sub.2 represents hydrogen, methyl or an alkanoyl group of the general formula COR' in which R' represents a hydrogen atom or a linear or branched C.sub.1 -C.sub.4 -alkyl group, or an alkoxycarbonyl group of the general formula COOR" in which R" represents a linear or branched C.sub.1 -C.sub.4 -alkyl group; and Ar represents either a phenyl group optionally carrying one or two substituents selected from halogen, C.sub.1 -C.sub.4 alkyl, methoxy and trifluoromethyl, or a naphthalen-1-yl or naphthalen-2-yl group optionally carrying a substituent selected from halogen, methyl, methoxy and cyclopropylmethoxy groups, in the form of a cis- or trans-stereoisomer, and in the form of a free base or an acid addition salt thereof and its therapeutic use.

  这是一种通式为(I)的2-氨基烷基-5-芳基烷基-1,3-二噁烷化合物，其中m代表0或1；n代表1、2、3或4；R.sub.1代表氢或甲基；R.sub.2代表氢、甲基或通式COR'的烷酰基，其中R'代表氢原子或线性或支链的C.sub.1-C.sub.4-烷基，或通式COOR"的烷氧羰基，其中R"代表线性或支链的C.sub.1-C.sub.4-烷基；Ar代表苯基，可选地带有一个或两个从卤素、C.sub.1-C.sub.4烷基、甲氧基和三氟甲基中选择的取代基，或者是萘-1-基或萘-2-基，可选地带有从卤素、甲基、甲氧基和环丙氧基中选择的取代基，以顺式或反式异构体的形式存在，以及其自由碱或酸盐形式及其治疗用途。
• 317. Polycyclic systems. Part VI. Synthesis of hydrochrysene and hydrophenanthrene derivatives
  作者：D. Nasipuri、J. Roy

  DOI：10.1039/jr9600001571

  日期：——
• Synthesis of the active dihydrodiol and diol epoxide metabolites of the steroid-related carcinogen 15,16-dihydrocyclopenta[a]phenanthrene and its 11-methyl derivative
  作者：Robert J. Young、Cecilia Cortez、Ernestina Luna、Hongmee Lee、Ronald G. Harvey

  DOI：10.1021/jo00054a017

  日期：1993.1

  Cyclopenta[a]phenanthrenes are a class of environmentally occurring carcinogens that are structurally related to sterols. While the parent hydrocarbon is biologically inactive, its 11-methyl and 17-keto derivatives are relatively potent carcinogens. Recent research has identified trans-3,4-dihydrodiol metabolites as the metabolic precursors of the corresponding anti- and/or syn-diol epoxides, implicated as the ultimate carcinogenic forms that bind to DNA. We now report the synthesis of the trans-3,4-dihydrodiol derivatives of cyclcopenta[a]phenanthrene and 11-methylcyclopenta[a]phenanthrene, 3a and 3b, respectively, and the corresponding anti- and syn-diol epoxides of each of these hydrocarbons, 4a, 4b and 5a, 5b, respectively. Syntheses of the analogous trans-3,4-dihydrodiol metabolites of the 17-keto derivatives of cyclopenta[a]phenanthrene and 11-methylcyclopenta[a]phenanthrene are described in the accompanying paper.
• SILVERMAN, I. R.;DAUB, G. H.;VANDER, JAGT, D. L., J. ORG. CHEM., 1985, 50, N 26, 5550-5556
  作者：SILVERMAN, I. R.、DAUB, G. H.、VANDER, JAGT, D. L.

  DOI：——

  日期：——
• LEE, HOMGMEE;HARVEY, RONALD G., TETRAHEDRON. LETT., 29,(1988) N 26, 3207-3210
  作者：LEE, HOMGMEE、HARVEY, RONALD G.

  DOI：——

  日期：——