3',4,4'-trichlorobiphenyl-3-ol | 329185-42-4

• 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: 3',4,4'-trichlorobiphenyl-3-ol
• 英文别名: 2-Chloro-5-(3,4-dichlorophenyl)phenol
• CAS: 329185-42-4
• 化学式: C₁₂H₇Cl₃O
• 分子量: 273.546
• InChiKey: OWNXAWZXLJTTCQ-UHFFFAOYSA-N

物化性质

• 沸点：
  397.2±42.0 °C(Predicted)
• 密度：
  1.447±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3',4,4'-trichlorobiphenyl-3-ol 在 lithium hydroxide 、 potassium carbonate 、 potassium iodide 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 18.0h， 生成
  参考文献：
  名称：

  Derivation and Properties of Recombinant Fab Antibodies to Coplanar Polychlorinated Biphenyls

  摘要：

  Recombinant Fab antibodies (rFabs) specific for coplanar polychlorinated biphenyls (PCBs) were derived from a hybridoma cell line (Chiu et al. Anal. Chem. 1995, 67, 3829-3839). Immunoglobulin V-H-C-H1 and V-L-C-L sequences from S2B1 messenger RNA were amplified by PCR and cloned into the M13 phagemid vector pComb3H. Phage displaying rFab were enriched by panning on a PCB hapten conjugate and expressed as soluble rFabs in Escherichia coli XL-1 Blue. Two rFab clones competitively bound PCBs 77 and 126 with half-maximal inhibition (I-50) of 10-13 ppb in indirect and direct enzyme immunoassays (EIAs), with selectivity nearly identical to that of whole S2B1 IgG and its Fab fragments prepared by papa-in digestion. These results, and comparison of N-terminal amino acid sequences of MAb S2B1 and the rFab, indicated that rFab S2B1 is a functional copy of the MAb. The rFab S2B1 sequences have 75-89% sequence identity with antibodies that bind nitrophenyl haptens and are being used to construct a three-dimensional computational model of the PCB binding site.

  DOI：

  10.1021/jf991208a
• 作为产物：
  描述：

  3,4-二氯苯胺 、 3-氯-4-甲氧基苯胺 在 亚硝酸异戊酯 、 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 2.5h， 生成 4′-hydroxy-3,3′,4-trichlorobiphenyl 、 、 3',4,4'-trichlorobiphenyl-3-ol
  参考文献：
  名称：

  Derivation and Properties of Recombinant Fab Antibodies to Coplanar Polychlorinated Biphenyls

  摘要：

  Recombinant Fab antibodies (rFabs) specific for coplanar polychlorinated biphenyls (PCBs) were derived from a hybridoma cell line (Chiu et al. Anal. Chem. 1995, 67, 3829-3839). Immunoglobulin V-H-C-H1 and V-L-C-L sequences from S2B1 messenger RNA were amplified by PCR and cloned into the M13 phagemid vector pComb3H. Phage displaying rFab were enriched by panning on a PCB hapten conjugate and expressed as soluble rFabs in Escherichia coli XL-1 Blue. Two rFab clones competitively bound PCBs 77 and 126 with half-maximal inhibition (I-50) of 10-13 ppb in indirect and direct enzyme immunoassays (EIAs), with selectivity nearly identical to that of whole S2B1 IgG and its Fab fragments prepared by papa-in digestion. These results, and comparison of N-terminal amino acid sequences of MAb S2B1 and the rFab, indicated that rFab S2B1 is a functional copy of the MAb. The rFab S2B1 sequences have 75-89% sequence identity with antibodies that bind nitrophenyl haptens and are being used to construct a three-dimensional computational model of the PCB binding site.

  DOI：

  10.1021/jf991208a

文献信息

• Method for producing of polyarylene sulfides
  申请人：IDEMITSU PETROCHEMICAL CO. LTD.

  公开号：EP0215312A1

  公开（公告）日：1987-03-25

  Disclosed is a method for producing a polyarylene sulfide comprising contacting a dihalogenated aromatic compound with an alkali metal sulfide in a polar solvent, wherein a halogenated aromatic compound containing active hydrogen is present in the reaction system.

  本发明公开了一种生产聚芳基硫醚的方法，该方法包括在极性溶剂中将二卤代芳香族化合物与碱金属硫化物接触，其中反应体系中存在含有活性氢的卤代芳香族化合物。
• US4810773A
  申请人：——

  公开号：US4810773A

  公开（公告）日：1989-03-07
• Derivation and Properties of Recombinant Fab Antibodies to Coplanar Polychlorinated Biphenyls
  作者：Ya-Wen Chiu、Rongliang Chen、Qing X. Li、Alexander E. Karu

  DOI：10.1021/jf991208a

  日期：2000.6.1

  Recombinant Fab antibodies (rFabs) specific for coplanar polychlorinated biphenyls (PCBs) were derived from a hybridoma cell line (Chiu et al. Anal. Chem. 1995, 67, 3829-3839). Immunoglobulin V-H-C-H1 and V-L-C-L sequences from S2B1 messenger RNA were amplified by PCR and cloned into the M13 phagemid vector pComb3H. Phage displaying rFab were enriched by panning on a PCB hapten conjugate and expressed as soluble rFabs in Escherichia coli XL-1 Blue. Two rFab clones competitively bound PCBs 77 and 126 with half-maximal inhibition (I-50) of 10-13 ppb in indirect and direct enzyme immunoassays (EIAs), with selectivity nearly identical to that of whole S2B1 IgG and its Fab fragments prepared by papa-in digestion. These results, and comparison of N-terminal amino acid sequences of MAb S2B1 and the rFab, indicated that rFab S2B1 is a functional copy of the MAb. The rFab S2B1 sequences have 75-89% sequence identity with antibodies that bind nitrophenyl haptens and are being used to construct a three-dimensional computational model of the PCB binding site.