3-methoxy-estra-1,3,5(10)-trien-17β-ol | 1035-77-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 3-methoxy-estra-1,3,5(10)-trien-17β-ol
• 英文别名: Oestradiol-3-methylether；Oestradiol-3-methylaether；3-Methoxy-oestra-1,3,5(10)-trien-17β-ol；(13S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
• CAS: 1035-77-4；2445-32-1；2919-56-4；3434-76-2；3855-62-7；4896-45-1；6570-46-3；6888-38-6；14088-14-3；15426-93-4；16994-40-4；17021-78-2；17337-41-6；19115-71-0；25089-52-5；27984-64-1；51606-70-3；53776-51-5；54274-76-9；55902-77-7；55923-99-4；80374-08-9；90025-05-1；94535-16-7
• 化学式: C₁₉H₂₆O₂
• 分子量: 286.414
• InChiKey: ULAADVBNYHGIBP-QKBRSHRXSA-N

物化性质

• 熔点：
  120-121 °C(Solv: benzene (71-43-2); hexane (110-54-3))
• 沸点：
  368.77°C (rough estimate)
• 密度：
  1.0655 (rough estimate)
• 溶解度：
  氯仿（微溶）、甲醇（微溶、加热）

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-methoxy-estra-1,3,5(10)-trien-17β-ol 、 1-(甲氧基羰基)-1H-苯并d1,2,3噻唑3-氧化物 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 吡啶 为溶剂， 以90%的产率得到
  参考文献：
  名称：

  New Process for the Preparation of Methyl Carbonates

  摘要：

  graphicThe methyl carbonate of HOBt was developed for the conversion of alcohols to carbonates. This method is superior to the use of methyl chloroformate or methyl pyrocarbonate, especially with more hindered alcohols. The reagent is a stable solid that is easily prepared on a multigram scale.

  DOI：

  10.1021/ol034274d

文献信息

• Synthesis of steroids containing N’-alkoxydiazene N-oxide groups
  作者：G. A. Smirnov、P. B. Gordeev、E. I. Chernoburova、I. V. Zavarzin

  DOI：10.1007/s11172-022-3618-8

  日期：2022.9

  The reaction of N-chlorocarbonylmethyl-N’-methoxydiazene N-oxide with hydroxy groups of various steroids afforded new potential nitric oxide generators containing N’-alkoxydiazene N-oxide groups at different positions of the steroid skeleton which may have antitumor activity.

  N-氯羰基甲基-N'-甲氧基二氮烯N-氧化物与各种甾体的羟基反应提供了新的潜在一氧化氮产生剂，在甾体骨架的不同位置含有N'-烷氧基二氮烯N-氧化物基团，可能具有抗肿瘤活性。
• 17beta-hydroxysteroid dehydrogenase inhibitors
  申请人：Sterix Limited

  公开号：EP2336146A1

  公开（公告）日：2011-06-22

  There is provided a compound of Formula I wherein (I) R1 is a selected from (i) an alkyloxyalkyl group (ii) a nitrile group, and wherein R2 is capable of forming a hydrogen bond (iii) alkylaryl group, wherein the aryl group is substituted by other than a C1-10 group (iv) alkenylaryl group wherein the aryl group is substituted (v) alkylheteroaryl group, wherein when heteroaryl group comprises only C and N in the ring, the aryl group is substituted by other than a methyl group (vi) alkenylheteroaryl group, (vii) =N-O-alkyl or =N-O-H group (viii) branched alkenyl (ix) alkyl-alcohol group (x) amide or alkylamide wherein (a) the alkyl of the alkylamide is - CH2- or -CH2CH2-, (b) the amide is di-substituted and/or (c) the amide is substituted with at least one of alkylheterocycle group, alkenylheterocycle group, alkylheteroaryl group, alkenylheteroaryl group, heteroaryl group, alkylamine group, alkyloxyalkyl group, alkylaryl group, straight or branched alkyl group, (xi) -CHO so that R1 together with R3 provide the enol tautomer OR R1 together with R3 form (xii) a pyrazole wherein (a) R4 is =N-O-alkyl or =N-O-H group, (b) the pyrazole is substituted with one of alkyl-OH group, alkyl ester group, alkyloxyalkyl group, branched alkyl group, and an amide and/or (c) the 2 position is substituted with a group selected from -OH and -O-hydrocarbyl (xiii) a heteroaryl ring to provide a compound of the formula (II) R2 is selected from groups capable of forming a hydrogen bond , a sulphamate group, a phosphonate group, a thiophosphonate group, a sulphonate group and a sulphonamide group; and (III)R3 is selected from -OH, =O, or a -C(=O)- mimetic

  提供了一种式 I 的化合物 其中(I)R1选自(i)烷氧基烷基(ii)腈基，其中R2能形成氢键(iii)烷芳基，其中芳基被C1-10基团以外的基团取代(iv)烯芳基，其中芳基被取代(v)烷基杂芳基，其中当杂芳基在环中仅包括C和N时，芳基被甲基以外的基团取代(vi)烯基杂芳基、(vii) =N-O-烷基或 =N-O-H-基团 (viii) 支链烯基 (ix) 烷醇基 (x) 酰胺或烷酰胺，其中 (a) 烷酰胺的烷基是-CH2-或-CH2CH2-，(b) 酰胺是二取代的和/或 (c) 酰胺被烷基杂环基团中的至少一个取代、烯基杂环基团、烷基杂芳基基团、烯基杂芳基基团、杂芳基基团、烷基胺基团、烷氧基烷基基团、烷芳基基团、直链或支链烷基基团中的至少一个被取代； (xi) -CHO，这样 R1 与 R3 一起提供烯醇同分异构体 (xii) 吡唑，其中 (a) R4 为 =N-O- 烷基或 =N-O-H 基团，(b) 吡唑被烷基-OH 基团、烷基酯基团、烷氧基烷基基团、支链烷基基团和酰胺中的一个基团取代，和/或 (c) 2 位被选自-OH 和-O-氢羰基的基团取代 (xiii) 杂芳基环，提供式中化合物 (II) R2 选自能形成氢键的基团、氨基磺酸基、膦酸基、硫代磷酸基、磺酸基和磺酰胺基； (III) R3 选自-OH、＝O 或-C(＝O)-模拟基。
• METHOD FOR DETECTION OF FLUORIDE OR HYDROGEN FLUORIDE AND DETECTION KIT
  申请人：Ezan Eric

  公开号：US20080248593A1

  公开（公告）日：2008-10-09

  The present invention relates to a method for detecting and/or measuring the concentration of fluoride (F − ) or hydrogen fluoride (HF) in a sample, comprising the steps consisting of bringing said sample, in aqueous solution, into contact with a silylated organic compound in order to obtain a measurement solution, with said silylated organic compound being desilylated when it is in the presence of hydrofluoric acid or a fluoride, with the silylated organic compound and the desilylated organic compound being able to be detected and/or measured separately from each other; and detecting and/or measuring, in said measurement solution, the appearance of the desilylated against compound or the disappearance of the silylated organic compound, which takes place if fluoride or hydrogen fluoride is present in the sample. The method enables the presence of hydrogen fluoride or of fluorine to be detected very easily and expediently at concentrations of 10 −2 l of HF/10 6 l of air (10 ppb) or else of 0.5 to 1 μg/ml of HF in solution. The kit of the present invention comprises the components which are required for implementing this method. The method of the invention makes it possible to detect fluorine at concentrations of the order of 0.001 μg/ml.
• US7396691B2
  申请人：——

  公开号：US7396691B2

  公开（公告）日：2008-07-08
• New Process for the Preparation of Methyl Carbonates
  作者：Peter G. M. Wuts、Scott W. Ashford、Andrew M. Anderson、Joseph R. Atkins

  DOI：10.1021/ol034274d

  日期：2003.5.1

  graphicThe methyl carbonate of HOBt was developed for the conversion of alcohols to carbonates. This method is superior to the use of methyl chloroformate or methyl pyrocarbonate, especially with more hindered alcohols. The reagent is a stable solid that is easily prepared on a multigram scale.