3,4-Dibromothiophenol | 126190-12-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯硫酚类
• 英文名称: 3,4-Dibromothiophenol
• 英文别名: 3,4-Dibromobenzenethiol
• CAS: 126190-12-3
• 化学式: C₆H₄Br₂S
• 分子量: 267.972
• InChiKey: YCDUVMUODNTCRB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3,4-Dibromothiophenol 在 alkaline medium 、 双氧水 作用下， 以 溶剂黄146 为溶剂， 生成 3,4-dibromophenyl-sulfonylacetic acid
  参考文献：
  名称：

  Pawlowska, Ewa; Janczewski, Marian, Polish Journal of Chemistry, 1991, vol. 65, # 11, p. 2081 - 2082

  摘要：

  DOI：
• 作为产物：
  描述：

  1,2-二溴-4-硝基苯 在 盐酸 、 氢氧化钾 、 tin(ll) chloride 、 sodium nitrite 作用下， 以 乙醇 、 水 为溶剂， 反应 5.0h， 生成 3,4-Dibromothiophenol
  参考文献：
  名称：

  Synthesis of mercapturic acid derivatives of putative toxic metabolites of bromobenzene

  摘要：

  DOI：

  10.1021/jo00296a034

文献信息

• Process for producing bishalophenyl disulfide
  申请人：——

  公开号：US20030060665A1

  公开（公告）日：2003-03-27

  This invention is directed to a process for producing a bishalophenyl disulfide, chracterized by reacting a halothiophenol with an alkali metal hydroxide to obtain an alkali metal halothiophenolate and subsequently converting the halothiophenolate into a disulfide with an oxidizing agent in the presence of a mineral acid. By the process, a bishalophenyl disulfide having a high purity can be industrially produced in high yield.

  这项发明涉及一种制备双硫代二苯酚的方法，其特点是通过将卤代硫代酚与碱金属氢氧化物反应，得到碱金属卤代硫代苯酚，然后在矿酸存在下，将卤代硫代苯酚转化为二硫化物，通过这种方法，可以在高产率下工业生产高纯度的双硫代二苯酚。
• METHOD FOR PRODUCING STRUCTURE WHEREIN AROMATIC POLYMER IS BONDED TO BASE, STRUCTURE HAVING AROMATIC POLYMER CHAIN BONDED TO CONDUCTIVE BASE, AND ELECTRONIC DEVICE COMPRISING THE STRUCTURE
  申请人：Tanaka Kenta

  公开号：US20100069603A1

  公开（公告）日：2010-03-18

  Disclosed is a method for efficiently producing a structure wherein an aromatic polymer is bonded to a base. Also disclosed is such a structure wherein the base is electrically conductive. Specifically disclosed is a method for producing a structure, which comprises a step for polycondensing an aromatic compound represented by the formula (I) below in the presence of a polymerization catalyst and a base having a group represented by the formula (II) below. MY n Ar—X  (I) (In the formula (I), Ar represents a divalent group composed of an aromatic ring; X represents a halogen atom or the like; Y represents an oxygen atom, a sulfur atom, an imino group or the like; n represents 0 or 1; and M represents a hydrogen atom, —B(OQ 1 ) 2 (wherein Q 1 represents a hydrogen atom, a hydrocarbon group or the like) or the like.) —Ar a —(X a ) p (II) (In the formula (II), Ar a represents a group having a valence of (p+1) and composed of an aromatic ring; X a represents a halogen atom or a monovalent group expressed as —SO 3 Q a (wherein Q a represents a substituted or unsubstituted hydrocarbon group); p represents an integer not less than 1, and when p is an integer not less than 2, the plurality of X a 's may be the same as or different from each other.)

  公开了一种高效生产芳香族聚合物与基体结合的结构的方法。还公开了这样一种结构，其中基体具有电导性。具体公开了一种生产结构的方法，该方法包括在聚合催化剂和具有以下式子（II）中表示的基团的碱存在下，聚合表示为以下式子（I）的芳香族化合物的步骤。MYnAr—X  (I)（在式（I）中，Ar表示由芳香族环组成的二价基团；X表示卤素原子或类似物；Y表示氧原子、硫原子、亚胺基或类似物；n表示0或1；M表示氢原子，-B（OQ1）2（其中Q1表示氢原子、碳氢基团或类似物）或类似物。）—Ara—（Xa）p（II）（在式（II）中，Ararepresents具有（p+1）价且由芳香族环组成的基团；Xarepresents卤素原子或表示为-SO3Qa的一价基团（其中Qarepresents取代或未取代的碳氢基团）；p表示不小于1的整数，当p为不小于2的整数时，Xa的多个可以相同也可以不同。）
• 2,3-(dihydro)bicyclic pyrazolidinones
  申请人：ELI LILLY AND COMPANY

  公开号：EP0203723A1

  公开（公告）日：1986-12-03

  2,3-(Dihydro) bicyclic pyrazolidinones are intermediates for bicyclic pyrazolidinone antimicrobials. The intermediates have the formula wherein: either R1 or R2 is hydrogen, C1 to C6 alkyl, C1 to C6 substituted alkyl, perfluoro C2 to C4 alkyl, C7 to C12 alkylaryl, C7 to C12 substituted alkylaryl, phenyl, substituted phenyl or cyano; a group of the formula wherein X is fluoro, chloro, bromo or iodo; a group of the formula wherein z is 0, 1 or 2 and R5 is C, to C6 alkyl, C1 to C6 substituted alkyl, phenyl, substituted phenyl, C7 to C12 alkylaryl, C7 to C12 substituted alkylaryl or a heterocyclic ring; a group of the formula wherein R6 is hydrogen, C1 to C6 alkyl, C1 to C6 substituted alkyl, perfluoro C2 to C4 alkyl, trihalomethyl, C7 to C12 alkylaryl, C7 to C12 substituted alkylaryl, phenyl or substituted phenyl; a group of the formula wherein R7 is hydrogen, an organic or inorganic cation, C1 to C6 alkyl, C1 to C6 substituted alkyl, C7 to C12 alkylaryl, C7 to C12 substituted alkylaryl, phenyl, substituted phenyl, a carboxy protecting group, or a non-toxic, metabolically-labile ester-forming group; or a group of the formula -CH2-S-Heterocyclic ring and the other of Rt or R2 is a group of the formula wherein R8 is hydrogen, an organic or inorganic cation, a carboxy protecting group or a non-toxic, metabolically-labile ester-forming group; R3 and R4 are the same or different and are hydrogen, C1 to C6 alkyl, C1 to C6 substituted alkyl, C7 to C12 alkylaryl, C7 to C12 substituted alkylaryl, phenyl, substituted phenyl or a group of the formula wherein R9 has the same definition as R7; Y is C1 to C6 alkyl, C1 to C6 substituted alkyl, phenyl, substituted phenyl, C7 to C12 alkylaryl or C7 to C12 substituted alkylaryl; or a pharmaceutically acceptable salt thereof.

  2,3-（二氢）双环吡唑烷酮是双环吡唑烷酮抗菌剂的中间体。这些中间体的化学式为 其中 R1 或 R2 为氢、C1 至 C6 烷基、C1 至 C6 取代烷基、全氟 C2 至 C4 烷基、C7 至 C12 烷芳基、C7 至 C12 取代烷芳基、苯基、取代苯基或氰基； 式中的基团 其中 X 为氟、氯、溴或碘； 式中 X 为氟、氯、溴或碘的基团 其中 z 是 0、1 或 2，R5 是 C 至 C6 烷基、C1 至 C6 取代的烷基、苯基、取代的苯基、C7 至 C12 烷芳基、C7 至 C12 取代的烷芳基或杂环； 式中的基团 其中 R6 是氢、C1 至 C6 烷基、C1 至 C6 取代的烷基、全氟 C2 至 C4 烷基、三卤甲基、C7 至 C12 烷芳基、C7 至 C12 取代的烷芳基、苯基或取代的苯基； 式中的基团 其中 R7 是氢、有机或无机阳离子、C1 至 C6 烷基、C1 至 C6 取代的烷基、C7 至 C12 烷芳基、C7 至 C12 取代的烷芳基、苯基、取代的苯基、羧基保护基团或无毒、代谢上易腐烂的成酯基团；或式中的基团 -CH2-S-杂环，而 Rt 或 R2 的另一个是式中的基团 其中 R8 是氢、有机或无机阳离子、羧基保护基团或无毒、代谢上易消化的成酯基团； R3 和 R4 相同或不同，并且是氢、C1 至 C6 烷基、C1 至 C6 取代烷基、C7 至 C12 烷芳基、C7 至 C12 取代烷芳基、苯基、取代苯基或式中的基团 其中 R9 的定义与 R7 相同； Y 是 C1 至 C6 烷基、C1 至 C6 取代的烷基、苯基、取代的苯基、C7 至 C12 烷芳基或 C7 至 C12 取代的烷芳基；或其药学上可接受的盐。
• 7-Substituted bicyclic pyrazolidinones
  申请人：ELI LILLY AND COMPANY

  公开号：EP0202046A1

  公开（公告）日：1986-11-20

  7-Substituted bicyclic pyrazolidinone compounds as antimicrobials and the corresponding intermediates, are discussed or provided. The use of the antimicrobial compounds in pharmaceutical compositions and in methods for treating bacterial infections is set forth. The pyrazolidinone compounds are of the formula wherein one of R1 and R2 is hydrogen, halo, C1 to C6 alkyl, C1 to C6 substituted alkyl, perfluoro C2 to C4 alkyl, C7 to C12 arylalkyl, C7 to C12 substituted arylalkyl, phenyl, substituted phenyl, a heterocyclic ring, nitro or cyano; a group of the formula wherein X is fluoro, chloro, bromo or iodo; a group of the formula wherein z is 0, 1 or 2 and R7 is C1 to C6 alkyl, C1 to C6 substituted alkyl, phenyl, substituted phenyl, C7 to C12 arylalkyl, C7 to C12 substituted arylalkyl or a heterocyclic ring; a group of the formula wherein R8 is hydrogen, C1 to C6 alkyl, C, to C6 substituted alkyl, perfluoro C2 to C4 alkyl, trihalomethyl, C7 to C12 arylalkyl, C7 to C12 substituted arylalkyl, phenyl, substituted phenyl, amino, (monosubstituted)amino, or (disubstituted)amino; a group of the formula wherein R9 is hydrogen, an organic or inorganic cation, C1 to C6 alkyl, C1 to C6 substituted alkyl, C7 to C12 arylalkyl, C7 to C12 substituted arylalkyl, phenyl, substituted phenyl, a carboxy-protecting group, or a non-toxic, metabolically-labile, ester-forming group; a group of the formula wherein R10 is hydrogen, an organic or inorganic cation, C1 to C5 alkyl, C, to G6 aubatituted allcyl, C7 to C12 arylalkyl, C7 to C12 aubatltuted arylalkyl, phenyl, or substituted phenyl; a group of the formula ⊕ wherein -N≡Q is a quaternary ammonium group; or a group of the formula -CH2-S-Heterocycllc ring; a group of the formula wherein R11 is hydrogen, C1 to Ce alkyl, C, to Ce substituted alkyl, C7 to C12 arylalkyl, C7 to C12 substituted arylalkyl, phenyl, substituted phenyl or C1 to C7 acyl; or a group of the formula wherein R12 and R13 are the same or different and are hydrogen, C1 to C6 alkyl, C1 to C6 substituted alkyl, C7 to C12 arylalkyl, C7 to C12 substituted arylalkyl, phenyl, substituted phenyl, C1 to C7 acyl, or a group of the formula; wherein Rq is C, to C6 alkyl, C7 to C12 arylalkyl or phenyl; and the other of R, and R2 is a group of the formula wherein R14 is hydrogen, an organic or inorganic cation, a carboxy-protecting group or a non-toxic, metabolically-labile ester-forming group; and R3 and R4 are the same or different and are hydrogen, C1 to C6 alkyl, C1 to C6 substituted alkyl, C7 to C12 arylalkyl, C7 to C12 substituted arylalkyl, phenyl, substituted phenyl or a group of the formula wherein R15 has the same definition as R9; R5 and R6 are: 1) each hydrogen, an amino protecting group; or acyl group derived from a C, to C30 carboxylic acid; provided that at least one of Rs and R6 must be hydrogen; or 2) taken together to form a phthalimido group; or a pharmaceutically-acceptable salt thereof.

  讨论或提供了作为抗菌剂的 7-取代双环吡唑烷酮化合物及相应的中间体。阐述了抗菌化合物在药物组合物和治疗细菌感染方法中的用途。吡唑烷酮化合物的结构式如下 其中 R1 和 R2 之一为氢、卤素、C1 至 C6 烷基、C1 至 C6 取代烷基、全氟 C2 至 C4 烷基、C7 至 C12 芳烷基、C7 至 C12 取代芳烷基、苯基、取代苯基、杂环、硝基或氰基； 式中的基团 其中 X 是氟、氯、溴或碘； 式中的基团 其中 z 是 0、1 或 2，R7 是 C1 至 C6 烷基、C1 至 C6 取代的烷基、苯基、取代的苯基、C7 至 C12 芳烷基、C7 至 C12 取代的芳烷基或杂环； 式中的基团 其中 R8 是氢、C1 至 C6 烷基、C, 至 C6 取代的烷基、全氟 C2 至 C4 烷基、三卤甲基、C7 至 C12 芳烷基、C7 至 C12 取代的芳烷基、苯基、取代的苯基、氨基、(单取代)氨基或(二取代)氨基； 式中的基团 其中 R9 是氢、有机或无机阳离子、C1～C6 烷基、C1～C6 取代的烷基、C7～C12 芳烷基、C7～C12 取代的芳烷基、苯基、取代的苯基、羧基保护基团或无毒、代谢上易腐烂的酯形成基团； 式中的基团 其中 R10 是氢、有机或无机阳离子、C1 至 C5 烷基、C, 至 G6 亚氨基全烷基、C7 至 C12 芳烷基、C7 至 C12 亚氨基芳烷基、苯基或取代苯基； 式中的基团 ⊕ 其中-N≡Q 是季铵基团；或式中-CH2-S-杂环的基团； 式中的基团 其中 R11 是氢、C1 至 Ce 烷基、C1 至 Ce 取代的烷基、C7 至 C12 芳烷基、C7 至 C12 取代的芳烷基、苯基、取代的苯基或 C1 至 C7酰基；或式中的基团 其中 R12 和 R13 相同或不同，并且是氢、C1 至 C6 烷基、C1 至 C6 取代的烷基、C7 至 C12 芳烷基、C7 至 C12 取代的芳烷基、苯基、取代的苯基、C1 至 C7酰基或式中的基团； 其中 Rq 是 C 至 C6 烷基、C7 至 C12 芳烷基或苯基；以及 R 和 R2 中的另一个是式中的基团 其中 R14 是氢、有机或无机阳离子、羧基保护基团或无毒、可代谢的成酯基团； R3 和 R4 相同或不同，并且是氢、C1 至 C6 烷基、C1 至 C6 取代的烷基、C7 至 C12 芳烷基、C7 至 C12 取代的芳烷基、苯基、取代的苯基或式中的一个基团。 其中 R15 的定义与 R9 相同； R5 和 R6 为 1) 各为氢、氨基保护基；或由 C 至 C30 羧酸衍生的酰基； 但 Rs 和 R6 中至少有一个必须是氢；或 2) 结合在一起形成邻苯二甲酰亚胺基团；或其药学上可接受的盐。
• 7-Substituted-2,3-(Dihydro) bicyclic pyrazolidinones
  申请人：ELI LILLY AND COMPANY

  公开号：EP0202794A1

  公开（公告）日：1986-11-26

  7-Substituted-2,3-(dihydro) bicyclic pyrazolidinones are intermediates for 7-substituted pyrazolidinone antimicrobials. The intermediates have the formula wherein Z is a group of the formula and wherein: R, is hydrogen, an organic or inorganic cation, a carboxy-protecting group or a non-toxic, metabolically-labile, ester-forming group; R2 is hydrogen, halo, C, to C6 alkyl, C, to C6 substituted alkyl, perfluoro C2 to C4 alkyl, C7 to C12 arylalkyl, C7 to C12 substituted arylalkyl, phenyl, substituted phenyl or cyano; a group of the formula wherein X is fluoro, chloro, bromo or iodo; a group of the formula wherein z is 0, 1 or 2 and R7 is C, to C6 alkyl, C, to C6 substituted alkyl, phenyl, substituted phenyl, C7 to C12 arylalkyl, C7 to C12 substituted arylalkyl, or a heterocyclic ring; a group of the formula wherein R8 is hydrogen, C, to C6 alkyl, C1 to C6 substituted alkyl, perfluoro C2 to C4 alkyl, trihalomethyl, C7 to C12 arylalkyl, C7 to C12 substituted arylalkyl, phenyl, substituted phenyl, amino, (monosubstituted)amino or disubstituted amino; a group of the formula wherein R9 is hydrogen, an organic or inorganic cation, C, to C6 alkyl, C, to C6 substituted alkyl, C7 to C12 arylalkyl, C7 to C12 substituted arylakly phenyl subsmtuted phenyl a car boxy-protecting group or a non-toxic. metabohcally-labile. ester-forming group or a group of the formula -CH2-S-Heterocyclic ring; R3 and R4 are hydrogen or; either R3 or R4 is C, to C6 alkyl, C, to C6 substituted alkyl. C7 to C12 arylalkyl, C7 to C12 substituted arylalkyl, phenyl, substituted phenyl or a group of the formula wherein R10 has the same definition as R9: and the other is hydrogen; R5 and Rf are 1) each hydrogen; or 2i taken together and form a phthalimido group; or 3) either Fc. or Re. is hydrogen and the other is an amino-protecting group: and Y is C, to C6 alkyl. C. to Ce substituted alkyl, pr enyl. substituted phenyl, C7 to C12 arylalkyl or C7 to C12 substrtuted arylalkyl. or a pharmaceutically acceptable salt thereof

  7-取代-2,3-（二氢）双环吡唑烷酮是 7-取代吡唑烷酮抗菌剂的中间体。这些中间体具有如下式子 其中 Z 是式中的基团 其中 R，是氢、有机或无机阳离子、羧基保护基团或无毒、代谢耐受性好的成酯基团； R2 是氢、卤代、C, 至 C6 烷基、C, 至 C6 取代烷基、全氟 C2 至 C4 烷基、C7 至 C12 芳烷基、C7 至 C12 取代芳烷基、苯基、取代苯基或氰基； 式中的基团 其中 X 为氟、氯、溴或碘； 式中 X 为氟、氯、溴或碘的基团 其中 z 是 0、1 或 2，R7 是 C 至 C6 烷基、C 至 C6 取代烷基、苯基、取代苯基、C7 至 C12 芳烷基、C7 至 C12 取代芳烷基或杂环； 式中的基团 其中 R8 为氢、C, 至 C6 烷基、C1 至 C6 取代的烷基、全氟 C2 至 C4 烷基、三卤甲基、C7 至 C12 芳烷基、C7 至 C12 取代的芳烷基、苯基、取代的苯基、氨基、（单取代）氨基或二取代氨基； 式中的基团 其中 R9 是氢、有机或无机阳离子、C-C6 烷基、C-C6 取代的烷基、C7-C12 芳烷基、C7-C12 取代的芳基苯基、C7-C12 取代的芳基烷基、C7-C12 取代的芳基烷基、C7-C12 取代的芳基烷基、C7-C12 取代的芳基烷基、C7-C12 取代的芳基烷基、C7-C12 取代的芳基烷基、C7-C12 取代的芳基烷基、C7-C12 取代的芳基烷基 或以下式子的基团 -CH2-S-杂环； R3 和 R4 是氢或；R3 或 R4 是 C 至 C6 烷基、C 至 C6 取代烷基、C7 至 C12 芳基。C7 至 C12 芳烷基、C7 至 C12 取代的芳烷基、苯基、取代的苯基或如下式中的基团 其中 R10 的定义与 R9 相同：另一个是氢； R5 和 Rf 为 1) 均为氢；或 2i 合在一起形成邻苯二甲酰亚胺基团；或 3) Fc.或 Re.之一是氢，另一个是氨基保护基团：Y 是 C 至 C6 烷基。取代的苯基、C7 至 C12 芳烷基或 C7 至 C12 取代的芳烷基。 或其药学上可接受的盐