1,1-bis(4-fluorophenyl)-2-(1-methyl-1H-tetrazol-5-yl)ethene | 118875-66-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,1-bis(4-fluorophenyl)-2-(1-methyl-1H-tetrazol-5-yl)ethene
• 英文别名: 5-[2,2-bis(4-fluorophenyl)ethenyl]-1-methyltetrazole
• CAS: 118875-66-4
• 化学式: C₁₆H₁₂F₂N₄
• 分子量: 298.295
• InChiKey: JBMMOXNLHYKUEG-UHFFFAOYSA-N

物化性质

• 熔点：
  169-171 °C
• 沸点：
  434.7±55.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  43.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1,1-bis(4-fluorophenyl)-2-(1-methyl-1H-tetrazol-5-yl)ethene 在 sodium tetrahydroborate 、 正丁基锂 、 三乙基硼 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 ethyl (+/-)-erythro-9,9-bis(4-fluorophenyl)-3,5-dihydroxy-8-(1-methyl-1H-tetrazol-5-yl)-6,8-nonadienoate
  参考文献：
  名称：

  HMG-CoA还原酶的有效，组织选择性合成抑制剂。

  摘要：

  DOI：

  10.1021/jm00129a004
• 作为产物：
  描述：

  4,4'-二氟二苯甲酮 在 正丁基锂 、 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 生成 1,1-bis(4-fluorophenyl)-2-(1-methyl-1H-tetrazol-5-yl)ethene
  参考文献：
  名称：

  HMG-CoA还原酶的有效，组织选择性合成抑制剂。

  摘要：

  DOI：

  10.1021/jm00129a004

文献信息

• Intermediates for the preparation of antihypercholesterolemic tetrazole
  申请人：Bristol-Myers Company

  公开号：US04898949A1

  公开（公告）日：1990-02-06

  This invention provides novel tetrazole intermediates of the formula ##STR1## wherein R.sup.1 and R.sup.4 each are independently hydrogen, halogen, C.sub.1-4 alkyl, C.sub.1-4 alkoxy or trifluoromethyl; R.sup.2,R.sup.3,R.sup.5 and R.sup.6 each are independently hydrogen, halogen, C.sub.1-4 alkyl or C.sub.1-4 alkoxy; B is hydrogen, C.sub.1-4 alkoxycarbonyl, CH.sub.2 Y or CH.sub.2 Z; Y is hydrogen, hydroxyl or X; Z is ##STR2## X is bromo, chloro or iodo; R.sup.10 is C.sub.1-4 alkyl; and R.sup.11 is phenyl which is unsubstituted or substituted by one or two C.sub.1-4 alkyl or chloro substituents. and processes thereof which are useful for the preparation of antihypercholesterolemic agents.

  这项发明提供了新型的四唑中间体，其化学式为##STR1##其中R.sup.1和R.sup.4分别独立地是氢、卤素、C.sub.1-4烷基、C.sub.1-4烷氧基或三氟甲基；R.sup.2、R.sup.3、R.sup.5和R.sup.6分别独立地是氢、卤素、C.sub.1-4烷基或C.sub.1-4烷氧基；B是氢、C.sub.1-4烷氧羰基、CH.sub.2 Y或CH.sub.2 Z；Y是氢、羟基或X；Z是##STR2##X是溴、氯或碘；R.sup.10是C.sub.1-4烷基；R.sup.11是苯基，未取代或取代一个或两个C.sub.1-4烷基或氯代基。以及用于制备抗高胆固醇药物的相关方法。
• Antihypercholesterolemic tetrazole compounds
  申请人：Bristol-Meyers Company

  公开号：US04897490A1

  公开（公告）日：1990-01-30

  Compounds of the formula ##STR1## wherein R.sup.1 and R.sup.4 each are independently hydrogen, halogen, C.sub.1-4 alkyl, C.sub.1-4 alkoxy, or trifluoromethyl; R.sup.2, R.sup.3, R.sup.5 and R.sup.6 each are independently hydrogen, halogen C.sub.1-4 alkyl or C.sub.1-4 alkoxy; tet is ##STR2## n is an integer of from 0 to 2, inclusive; A is ##STR3## R.sup.7 is hydrogen, C.sub.1-4 alkyl, C.sub.1-4 alkoxy(lower) alkyl or (2-methoxyethoxy)methyl; X is --OH or .dbd.O; and R.sup.8 is hydrogen, a hydrolyzable ester group or a cation to form a non-toxic pharmaceutically acceptable salt, are novel antihypercholesterolemic agents which inhibit cholesterol biosynthesis. Intermediates and processes for their preparation are disclosed.

  式为##STR1##的化合物，其中R.sup.1和R.sup.4分别独立地是氢、卤素、C.sub.1-4烷基、C.sub.1-4氧烷基或三氟甲基；R.sup.2、R.sup.3、R.sup.5和R.sup.6分别独立地是氢、卤素、C.sub.1-4烷基或C.sub.1-4氧烷基；tet为##STR2##；n是0到2之间的整数；A为##STR3##；R.sup.7为氢、C.sub.1-4烷基、C.sub.1-4氧烷基(较低)烷基或(2-甲氧基乙氧基)甲基；X为--OH或.dbd.O；R.sup.8为氢、可水解酯基团或阳离子，以形成一种无毒的药用可接受盐，这些化合物是新型抗高胆固醇药物，可抑制胆固醇生物合成。揭示了它们的中间体和制备方法。
• Intermediates and process for the preparation of
  申请人：Bristol-Myers Company

  公开号：US04939265A1

  公开（公告）日：1990-07-03

  This invention provides novel tetrazole intermediates of the formula ##STR1## wherein R.sup.1 and R.sup.4 each are independently hydrogen, halogen, C.sub.1-4 alkyl, C.sub.1-4 alkoxy or trifluoromethyl; R.sup.2, R.sup.3, R.sup.5 and R.sup.6 each are independently hydrogen, halogen, C.sub.1-4 alkyl or C.sub.1-4 alkoxy; B is hydrogen, C.sub.1-4 alkoxycarbonyl, CH.sub.2 Y or CH.sub.2 Z; Y is hydrogen, hydroxyl or X; Z is ##STR2## X is bromo, chloro or iodo; R.sup.10 is C.sub.1-4 alkyl; and R.sup.11 is phenyl which is unsubstituted or substituted by one or two C.sub.1-4 alkyl or chloro substituents. and processes thereof which are useful for the preparation of antihypercholesterolemic agents.

  这项发明提供了新型四唑中间体的公式##STR1##其中R.sup.1和R.sup.4各自独立地是氢，卤素，C.sub.1-4烷基，C.sub.1-4烷氧基或三氟甲基; R.sup.2，R.sup.3，R.sup.5和R.sup.6各自独立地是氢，卤素，C.sub.1-4烷基或C.sub.1-4烷氧基; B是氢，C.sub.1-4烷氧羰基，CH.sub.2 Y或CH.sub.2 Z; Y是氢，羟基或X; Z是##STR2##X是溴，氯或碘; R.sup.10是C.sub.1-4烷基; R.sup.11是苯基，未取代或取代一个或两个C.sub.1-4烷基或氯取代基。以及其制备抗高胆固醇药物的方法。
• Tetrazole compounds
  申请人：Bristol-Myers Company

  公开号：US05068346A1

  公开（公告）日：1991-11-26

  Compounds of the formula ##STR1## wherein R.sup.1 and R.sup.4 each are independently hydrogen, halogen, C.sub.1-4 alkyl, C.sub.1-4 alkoxy, or trifluoromethyl; R.sup.2, R.sup.3,R.sup.5 and R.sup.6 each are independently hydrogen, halogen C.sub.1-4 alkyl or C.sub.1-4 alkoxy; tet is ##STR2## n is an integer of from 0 to 2, inclusive; A is ##STR3## R.sup.7 is hydrogen, C.sub.1-4 alkyl, C.sub.1-4 alkoxy(lower) alkyl or (2-methoxyethoxy)methyl; X is --OH or .dbd.O; and R.sup.8 is hydrogen, a hydrolyzable ester group or a cation to form a non-toxic pharmaceutically acceptable salt, are novel antihypercholesterolemic agents which inhibit cholesterol biosynthesis. Intermediates and processes for their preparation are disclosed.

  该化合物的公式为##STR1##其中R.sup.1和R.sup.4各自独立地为氢、卤素、C.sub.1-4烷基、C.sub.1-4烷氧基或三氟甲基；R.sup.2、R.sup.3、R.sup.5和R.sup.6各自独立地为氢、卤素、C.sub.1-4烷基或C.sub.1-4烷氧基；tet为##STR2##n为0至2的整数；A为##STR3##R.sup.7为氢、C.sub.1-4烷基、C.sub.1-4烷氧基(较低)烷基或(2-甲氧基乙氧基)甲基；X为--OH或.dbd.O；R.sup.8为氢、可水解酯基或阳离子，以形成一种无毒的药用可接受盐，是新型的抑制胆固醇生物合成的降胆固醇药物。公开了其中间体和制备方法。
• Process for preparation of 5-hydroxy-3-ketoester derivative and optically active substance thereof
  申请人：UBE INDUSTRIES, LTD.

  公开号：EP0641762A1

  公开（公告）日：1995-03-08

  Disclosed is a process for the preparation of a 5-hydroxy-3-ketoester derivative of the formula: in which R¹ represents an alkyl group, an alkenyl group, an alkynyl group, an aryl group or a heterocyclic group, and R² represents an alkyl group or an aryl group, which comprises causing the reaction of an aldehyde compound of the formula R¹CHO in which R¹ has the meanings as defined above and diketene in the presence of a metal compound selected from a titanium or aluminum compound having at least one group of -OR³ in which R³ represents an alkyl group or an aryl group. Further, a process for the preparation of an optically active substance of the 5-hydroxy-3-ketoester derivative causing the reaction of the above compounds in the presence of the metal compound and optically active Schiff base or a complex compound obtained by reacting the metal compound with the optically active Schiff base, also is disclosed.

  本发明公开了一种制备式 5-羟基-3-酮酯衍生物的工艺： 其中R¹代表烷基、烯基、炔基、芳基或杂环基，R²代表烷基或芳基，其包括使式R¹CHO的醛化合物（其中R¹具有如上定义的含义）和二乙烯在选自钛或铝化合物的金属化合物存在下反应，该金属化合物具有至少一个-OR³基团，其中R³代表烷基或芳基。此外，本发明还公开了一种制备 5-羟基-3-酮酯衍生物的光学活性物质的工艺，该工艺使上述化合物在金属化合物和光学活性席夫碱或金属化合物与光学活性席夫碱反应得到的复合物的存在下发生反应。