2,2,3,4,5,6-hexachlorocyclohexa3,5-diene | 958804-16-5

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 英文名称: 2,2,3,4,5,6-hexachlorocyclohexa3,5-diene
• 英文别名: Cyclohexadiene, hexachloro-；1,2,3,4,5,5-hexachlorocyclohexa-1,3-diene
• CAS: 958804-16-5
• 化学式: C₆H₂Cl₆
• 分子量: 286.8
• InChiKey: JTPQZVZPNDHVAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  2,2,3,4,5,6-hexachlorocyclohexa3,5-diene 、 2,8-dimethoxy-10-hydroxy-11H-benzo[b]fluorene 以 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 5-chloro-2,8-dimethoxy-10-hydroxy-11H-benzo[b]fluorene
  参考文献：
  名称：

  US2004/59004

  摘要：

  公开号：

文献信息

• Process for the preparation of tricyclic amino alcohol derivatives
  申请人：ASAHI KASEI KABUSHIKI KAISHA

  公开号：US20030225289A1

  公开（公告）日：2003-12-04

  A process for the preparation of tricyclic amino alcohol derivatives including 2-[N-[2-(9H-carbazol-2-yloxy)ethyl]]amino-1-[(3-methylsulfonylamino)phenyl]ethanol useful in the treatment of diabetes, obesity, hyperlipidemia and so on; and intermediates as represented by formula (5) or (6) or the like useful in the preparation, wherein R11 is hydrogen or the like; and *1 represents an asymmetric carbon atom. 2-Halo-1-(3-nitrophenyl)ethanone derivatives and 1-(3-nitrophenyl)oxirane derivatives, which are intermediates for the preparation of tricyclic amino alcohol derivatives, are easy of purification, and particularly optically active 1-(3-nitrophenyl)oxirane derivatives are effective in enhancing the optical purities of the final products.

  一种用于制备包括2-[N-[2-(9H-咔唑-2-氧基)乙基]]氨基-1-[3-(甲磺酰氨基)苯基]乙醇在内的三环氨基醇衍生物的方法，该方法在治疗糖尿病、肥胖、高脂血症等方面有用；以及用公式(5)或(6)等表示的中间体，在制备中有用，其中R11是氢等；*1代表一个不对称碳原子。2-卤代-1-(3-硝基苯基)乙酮衍生物和1-(3-硝基苯基)环氧衍生物是用于制备三环氨基醇衍生物的中间体，易于纯化，特别是光学活性的1-(3-硝基苯基)环氧衍生物在提高最终产品的光学纯度方面是有效的。
• Substituted 10-aryl-11h-benzo[b]fluourenes and 7-aryl-5, 6-dihydro-benzo[a]anthracenes for selective effects on estrogen receptors
  申请人：Loozen Hubert, Jan, Jozef

  公开号：US20050159405A1

  公开（公告）日：2005-07-21

  This invention provides a compound, or its possible salt, having the formula, wherein: R e and ′R e are OH, optionally independently etherified or esterified; Z is —CH 2 CH 2 — or —C(R 4 ,R 5 )—, wherein R 4 and R 5 are independently H, (1C-2C)alkyl or form together a spiro(3C-5C)cycloalkyl; R 1 is H, halogen, CF 3 , or (1C-4C)alkyl; R 2 and R 3 are independently H, halogen, —CF 3 , —OCF 3 , (1C-8C)alkyl, hydroxy, (1C-8C)alkyloxy, aryloxy, aryl(1C-8C)alkyl, halo(1C-8C)alkyl, —O(CH 2 ) m X, wherein X is halogen or phenyl and m=2-4; —O(CH 2 ) m NR a R b , —S(CH 2 ) m NR a R b or —(CH 2 ) m NR a R b , wherein m=2-4 and wherein R a , R b are independently (1C-8C)alkyl, (2C-8C)alkenyl, (2C-8C)alkynyl, or aryl, which alkyl, alkenyl and aryl can optionally be substituted with halogen, —CF 3 , —OCF 3 , —CN, —NO 2 , —OH, (1C-8C)alkoxy, aryloxy, carboxyl, (1C-8C)alkylthio, carboxylate, (1C-8C)alkyl, aryl, aryl(1C-8C)alkyl or halo(1C-8C)alkyl; or R a and R b form a 3-8 membered ring structure, optionally substituted with halogen, —CF 3 , —OCF 3 , —CN, —NO 2 , hydroxy, hydroxy(1C-4C)alkyl, (1C-8C)alkoxy, aryloxy, (1C-8C)alkylthio, carboxyl, carboxylate, (1C-8C)alkyl, aryl, aryl(1C-8C)alkyl, halo(1C-8C)alkyl.

  本发明提供了一种化合物或其可能的盐，其化学式为：其中：Re和′Re分别为OH，可选地独立地醚化或酯化；Z为— —或—C(R4,R5)—，其中R4和R5独立地为H，(1C-2C)烷基或形成一个spiro(3C-5C)环烷基；R1为H，卤素，CF3或(1C-4C)烷基；R2和R3独立地为H，卤素，— ，—O ，(1C-8C)烷基，羟基，(1C-8C)烷氧基，芳氧基，芳基(1C-8C)烷基，卤代(1C-8C)烷基，—O(CH2)mX，其中X为卤素或苯基，m=2-4；—O( )mNRaRb，—S( )mNRaRb或—( )mNRaRb，其中m=2-4，且Ra，Rb独立地为(1C-8C)烷基，(2C-8C)烯基，(2C-8C)炔基或芳基，所述烷基、烯基和芳基可选地被卤素、— 、—O 、—CN、—NO2、—OH、(1C-8C)烷氧基、芳氧基、羧基、(1C-8C)烷硫基、羧酸盐、(1C-8C)烷基、芳基、芳基(1C-8C)烷基或卤代(1C-8C)烷基取代；或Ra和Rb形成一个3-8成员环结构，可选地被卤素、— 、—O 、—CN、— 、羟基、羟基(1C-4C)烷基、(1C-8C)烷氧基、芳氧基、(1C-8C)烷硫基、羧基、羧酸盐、(1C-8C)烷基、芳基、芳基(1C-8C)烷基或卤代(1C-8C)烷基取代。
• 10-ARYL-11H-BENZO[B]FLUORENE DERIVATIVES AND ANALOGS FOR MEDICINAL USE
  申请人：——

  公开号：US20040059004A1

  公开（公告）日：2004-03-25

  The invention provides for a non-steroidal compound having the formula 1 wherein R e and ′R e are OH, optionally independently etherified or esterified; Z is —CH 2 — or —CH 2 CH 2 —; R 1 is H, halogen, CF 3 , or (1C-4C)alkyl; R 2 , R 3 and R 4 are independently H, halogen, —CF 3 , —OCF 3 , (1C-8C)Alkyl, hydroxy, (1C-8C)alkyloxy, aryloxy, aryl(1C-8C)alkyl, halo(1C-8C)alkyl, —O(CH 2 ) m X, wherein X is halogen or phenyl and m=2-4; —O(CH 2 ) m NR a R b , —S(CH 2 ) m NR a R b or —(CH 2 ) m NR a R b , wherein m=2-4 and R a , R b are independently (1C-8C)alkyl, (2C-8C)alkenyl, (2C-8C)alkynyl, or aryl, optionally substituted with halogen, —CF 3 , —OCF 3 , —CN, —NO 2 , —OH, (1C-8C)alkoxy, aryloxy, carboxyl, (1C-8C)alkylthio, carboxylate, (1C-8C)alkyl, aryl, aryl(1C-8C)alkyl, halo(1C-8C)alkyl or R a and R b form a 3-8 membered ring structure, optionally substituted with halogen, —CF 3 , —OCF 3 , —CN, —NO 2 , hydroxy, hydroxy(1C-4C)alkyl, (1C-8C)alkoxy, aryloxy, (1C-8C)alkylthio, carboxyl, carboxylate, (1C-8C)alkyl, aryl, aryl(1C-8C)alkyl, halo(1C-8C)alkyl. The compounds can be used for the preparation of a medicine, in particular for use in estrogen-receptor-related treatments.

  本发明提供了一种非甾体化合物，其化学式为1，其中Re和′Re为OH，可选独立醚化或酯化；Z为—CH2—或— —；R1为H，卤素，CF3或（1C-4C）烷基；R2、R3和R4独立地为H，卤素，— ，—O ，（1C-8C）烷基，羟基，（1C-8C）烷氧基，芳氧基，芳基（1C-8C）烷基，卤代（1C-8C）烷基，—O（ ）mX，其中X为卤素或苯基，m=2-4；—O（ ）mNRaRb，—S（ ）mNRaRb或—（ ）mNRaRb，其中m=2-4，Ra和Rb独立地为（1C-8C）烷基，（2C-8C）烯基，（2C-8C）炔基或芳基，可选用卤素，— ，—O ，—CN，—NO2，—OH，（1C-8C）烷氧基，芳氧基，羟基（1C-4C）烷基，（1C-8C）烷硫基，羧基，羧酸盐，（1C-8C）烷基，芳基，芳基（1C-8C）烷基，卤代（1C-8C）烷基或Ra和Rb形成3-8成员环结构，可选用卤素，— ，—O ，—CN，— ，羟基，羟基（1C-4C）烷基，（1C-8C）烷氧基，芳氧基，（1C-8C）烷硫基，羧基，羧酸盐，（1C-8C）烷基，芳基，芳基（1C-8C）烷基，卤代（1C-8C）烷基。这些化合物可用于制备药物，特别是用于雌激素受体相关治疗。
• PROCESSES FOR THE PREPARATION OF TRICYCLIC AMINO ALCOHOL DERIVATIVES
  申请人：Asahi Kasei Kabushiki Kaisha

  公开号：EP1209150A1

  公开（公告）日：2002-05-29

  A process for the preparation of tricyclic amino alcohol derivatives including 2-[N-[2-(9H-carbazol-2-yloxy)ethyl]]amino-1-[(3-methylsulfonylamino)phenyl]ethanol useful in the treatment of diabetes, obesity, hyperlipidemia and so on; and intermediates as represented by formula (5) or (6) or the like useful in the preparation, wherein R11 is hydrogen or the like; and *1 represents an asymmetric carbon atom. 2-Halo-1-(3-nitrophenyl)ethanone derivatives and 1-(3-nitrophenyl)oxirane derivatives, which are intermediates for the preparation of tricyclic amino alcohol derivatives, are easy of purification, and particularly optically active 1-(3-nitrophenyl)oxirane derivatives are effective in enhancing the optical purities of the final products.

  一种制备三环氨基醇衍生物的工艺，包括用于治疗糖尿病、肥胖症、高脂血症等的2-[N-[2-(9H-咔唑-2-氧基)乙基]]氨基-1-[(3-甲磺酰氨基)苯基]乙醇；以及用于制备的式(5)或式(6)或类似物所代表的中间体，其中R11为氢或类似物；*1代表不对称碳原子。2-Halo-1-(3-nitrophenyl)ethanone 衍生物和 1-(3-硝基苯基)环氧乙烷衍生物是制备三环氨基醇衍生物的中间体，易于纯化，特别是具有光学活性的 1-(3-硝基苯基)环氧乙烷衍生物可有效提高最终产品的光学纯度。
• 10-ARYL-11H-BENZO[B]FLUORENE DERIVATIVES AND ANALOGS AS ESTROGENIC COMPOUNDS
  申请人：Akzo Nobel N.V.

  公开号：EP1313700B1

  公开（公告）日：2005-11-09