5-Methyl-2-[3-[2,6-dimethyl-4-(2-methyl-tetrazol-5-yl)phenoxy]-propyl]-2,5 dimethoxy-2,5-dihydrofuran | 174607-16-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-Methyl-2-[3-[2,6-dimethyl-4-(2-methyl-tetrazol-5-yl)phenoxy]-propyl]-2,5 dimethoxy-2,5-dihydrofuran
• 英文别名: 5-Methyl-2-[3-[2,6-dimethyl-4-(2-methyl-tetrazol-5-yl)phenoxy]-propyl]-2,5-dimethoxy-2,5-dihydrofuran；5-[4-[3-(2,5-dimethoxy-5-methylfuran-2-yl)propoxy]-3,5-dimethylphenyl]-2-methyltetrazole
• CAS: 174607-16-0
• 化学式: C₂₀H₂₈N₄O₄
• 分子量: 388.467
• InChiKey: YJEHHUPZMSHZBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  80.5
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  5-Methyl-2-[3-[2,6-dimethyl-4-(2-methyl-tetrazol-5-yl)phenoxy]-propyl]-2,5 dimethoxy-2,5-dihydrofuran 、 甲醇 、 溶剂黄146 、 一水合肼 在 二氯甲烷 、 Brine 、 magnesium sulfate 作用下， 以 水 为溶剂， 反应 1.2h， 以to afford 180 mg (29%) of 3-methyl-6-[3-[2,6-dimethyl-4-(2-methyl-tetrazol-5-yl)-phenoxy]-propyl]-pyridazine (Formula I; R1, R2 =3,5-dimethyl, R3 =6-methyl, R4 =hydrogen, R5 =2-methyltetrazol-5-yl), m.p. 114°-115° C.的产率得到3-Methyl-6-[3-[2,6-dimethyl-4-(2-methyl-tetrazol-5-yl)-phenoxy]-propyl]-pyridazine
  参考文献：
  名称：

  Therapeutic phenoxyalkylpyridazines and intermediates therefor

  摘要：

  式子为##STR1##的化合物，其中：R.sub.1、R.sub.2、R.sub.3和R.sub.4如规范中所定义，Y为3至9个碳原子的烷基，R.sub.5为烷氧羰基，烷基四唑基，苯基或从苯并噁唑基，苯并噻唑基，噻二唑基，咪唑基，二氢咪唑基，噁唑基，噻唑基，噁二唑基，吡唑基，噁唑啉基，异噁唑基，异噻唑基，呋喃基，三唑基，噻吩基，氟烷基取代的上述任何一个杂环；或其药学上可接受的酸盐；其N-氧化物，可用作抗病毒药剂。

  公开号：

  US05665763A1
• 作为产物：
  描述：

  5-Methyl-2-[3-[2,6-dimethyl-4-(2-methyl-tetrazol-5-yl)-phenoxy]-propyl]-2,5 dimethoxy-2,5-dihydrofuran Sodium carbonate 、 5-<3,5-dimethyl-4-<<3-(5-methyl-2-furanyl)propyl>oxy>phenyl>-2-methyl-2H-tetrazole 、 溴 在 乙醚 、 水 、 magnesium sulfate 、 ethyl acetate n-hexane 作用下， 以 甲醇 、 Brine 为溶剂， 反应 0.75h， 以to afford 820 mg (76.3%) of 5-methyl-2-[3-[2,6-dimethyl-4-(2-methyl-tetrazol-5-yl)-phenoxy]-propyl]-2,5-dimethoxy-2,5-dihyrofuran的产率得到5-Methyl-2-[3-[2,6-dimethyl-4-(2-methyl-tetrazol-5-yl)phenoxy]-propyl]-2,5 dimethoxy-2,5-dihydrofuran
  参考文献：
  名称：

  Heterocycle substituted phenoxyalkylheterocycles and their use as

  摘要：

  该化合物的化学式为##STR1## 其中Y，R.sub.1，R.sub.2，R.sub.3，R.sub.4和R.sub.5的定义见说明书。

  公开号：

  US05567717A1

文献信息

• US5567717A
  申请人：——

  公开号：US5567717A

  公开（公告）日：1996-10-22
• US5665763A
  申请人：——

  公开号：US5665763A

  公开（公告）日：1997-09-09
• [EN] THERAPEUTIC PHENOXYALKYLPYRIDAZINES AND INTERMEDIATES THEREFOR<br/>[FR] PHENOXYALKYLPYRIDAZINES THERAPEUTIQUES ET LEURS INTERMEDIAIRES
  申请人：SANOFI WINTHROP, INC.

  公开号：WO1995031439A1

  公开（公告）日：1995-11-23

  (EN) Compounds of formula (A), Z is (B) or (C) wherein: R1 and R2 are each independently chosen from hydrogen, halo, alkyl, alkenyl, alkoxy, hydroxy, hydroxyalkyl, hydroxyhaloalkyl, alkoxyalkyl, alkylthioalkynyl, hydroxyalcoxy, alkylthioalkyl, alkylsulfinylalkyl, alkylsulfonylalkyl, amino, aminoalkyl, alkylaminoalkyl, dialkylaminoalkyl, alcoxycarbonyl, carboxy or cyanomethyl, nitro, difluoromethyl, trifluoromethyl or cyano; Y is alkylene of 3 to 9 carbon atoms; R3 and R4 are each independently chosen from hydrogen, alkyl, alkoxy, hydroxy, cycloalkyl, hydroxyalkyl, hydroxyhaloalkyl, alkoxyalkyl, hydroxyalcoxy, alkylthioalkyl, alkanoyl, alkanoyloxy, alkylsulfinylalkyl, alkylsulfonylalkyl, aminoalkyl, alkylaminoalkyl, dialkylaminoalkyl, alkoxycarbonyl, carboxy, cyanomethyl, fluoroalkyl, cyano, phenyl, alkynyl, alkene, or halo; R5 is alkoxycarbonyl, alkyltetrazolyl, phenyl or a heterocycle chosen from benzoxazolyl, benzathiazolyl, thiadiazolyl, imidazolyl, dihydroimidazolyl, oxazolyl, thiazolyl, oxadiazolyl, pyrazolyl, oxazolinyl, isoxazolyl, isothiazolyl, furyl, triazolyl, thiophenyl, pyridyl, pyrimidinyl, pyrazinyl, pyridazinyl or any of the above substituted with alkyl, alkoxyalkyl, cycloalkyl, halo, alkyl, hydroxyalkyl, alkoxy, hydroxy, halo, furyl, thienyl, fluoroalkyl; or a pharmaceutically acceptable acid addition salts thereof; N-oxides thereof, are useful as antipicornaviral agents.(FR) Composés répondant à la formule (A), où Z représente (B) ou (C), R1 et R2 sont chacun indépendamment choisis entre hydrogène, halo, alkyle, alcényle, alcoxy, hydroxy, hydroxyalkyle, hydroxyhaloalkyle, alcoxyalkyle, alkylthioalcynyle, hydroxyalcoxy, alkylthioalkyle, alkylsulfinylalkyle, alkylsulfonylalkyle, amino, aminoalkyle, alkylaminoalkyle, dialkylaminoalkyle, alcoxycarbonyle, carboxy ou cyanométhyle, nitro, diflurométhyle, trifluorométhyle ou cyano; Y représente alkylène contenant 3 à 9 atomes de carbone; R3 et R4 sont chacun indépendamment choisis entre hydrogène, alkyle, alcoxy, hydroxy, cycloalkyle, hydroxyalkyle, hydroxyhaloalkyle, alcoxyalkyle, hydroxyalcoxy, alkylthioalkyle, alcanoyle, alcanoyloxy, alkylsulfinylalkyle, alkylsulfonylalkyle, aminoalkyle, alkylaminoalkyle, dialkylaminoalkyle, alcoxycarbonyle, carboxy ou cyanométhyle, fluroalkyle, cyano, phényle, alcynyle, alcène ou halo; R5 représente alcoxycarbonyle, alkyltétrazolyle, phényle ou un hétérocycle choisi entre benzoxazolyle, benzathiazolyle, thiadiazolyle, imidazolyle, dihydro-imidazolyle, oxazolyle, thiazolyle, oxadiazolyle, pyrazolyle, oxazolinyle, isoxazolyle, isothiazolyle, furyle, triazolyle, thiophényle, pyridyle, pyrimidinyle, pyrazinyle, pyridazinyle, ou l'un quelconque des éléments précités substitués par alkyle, alcoxyalkyle, cycloalkyle, haloalkyle, hydroxyalkyle, alcoxy, hydroxy, halo, furyle, thiényle, fluoroalkyle. Ces composés, ou un de leurs sels d'addition d'acide pharmaceutiquement acceptables, et leurs N-oxydes, peuvent s'utiliser comme agents antipicornaviraux.