2-(4-bromophenyl)-1-(4-hydroxyphenyl) ethanone | 63186-92-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 2-(4-bromophenyl)-1-(4-hydroxyphenyl) ethanone
• 英文别名: 4-Brom-4'-hydroxy-desoxybenzoin；1-(4-hydroxyphenyl)-2-(4-bromophenyl)ethanone；2-(4-Bromophenyl)-1-(4-hydroxyphenyl)ethan-1-one；2-(4-bromophenyl)-1-(4-hydroxyphenyl)ethanone
• CAS: 63186-92-5
• 化学式: C₁₄H₁₁BrO₂
• 分子量: 291.144
• InChiKey: NPMMHEVZTQIQED-UHFFFAOYSA-N

物化性质

• 熔点：
  186°C
• 沸点：
  451.5±25.0 °C(Predicted)
• 密度：
  1.483±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4-bromophenyl)-1-(4-hydroxyphenyl) ethanone 在 吡啶 、 sodium tetrahydroborate 、 硫酸 、 copper(l) cyanide 作用下， 以 甲醇 、 溶剂黄146 为溶剂， 反应 55.0h， 生成 (E)-benzoic acid 4-octyloxy-4-<2-(4-cyanophenyl)ethenyl>phenyl ester
  参考文献：
  名称：

  Smectic–smectic phase transitions in binary liquid‐crystalline mixtures of DB₅–T₈

  摘要：

  We have used high-resolution x-ray diffraction and ac calorimetry to study the liquid–crystalline smectic-A-smectic-A phase transitions in binary mixtures of polar mesogenic compounds DB5 [benzoic acid, (4-cyano)-4-[(4-pentylphenoxy) carbonyl] phenyl ester] and T8 [(E)-benzoic acid, 4-octyloxy-4-[2-(4-cyanophenyl) ethenyl] phenyl ester]. A detailed synthesis for each of these compounds is presented. The smectic A1 phase in this system shows two collinear diffuse x-ray maxima at incommensurate wave vectors, indicating a tendency to form the predicted Ai1 phase with two strongly coupled density modulations having incommensurate wavelengths. The Ad peak position, while both temperature and concentration dependent, is remarkably constant along the N–Ad phase boundary. In the vicinity of 16 mol % T8, both the x-ray and heat-capacity results are reproducibly history dependent. The simultaneous observation of sharp A2 and Ad peaks most likely results from phase coexistence, but a condensed incommensurate Ai2 phase cannot be ruled out.

  DOI：

  10.1063/1.457798
• 作为产物：
  描述：

  对溴苯乙酸 在 三氯化铝 、 氯化亚砜 、 氢溴酸 作用下， 以 二氯甲烷 、 溶剂黄146 为溶剂， 反应 7.5h， 生成 2-(4-bromophenyl)-1-(4-hydroxyphenyl) ethanone
  参考文献：
  名称：

  Smectic–smectic phase transitions in binary liquid‐crystalline mixtures of DB₅–T₈

  摘要：

  We have used high-resolution x-ray diffraction and ac calorimetry to study the liquid–crystalline smectic-A-smectic-A phase transitions in binary mixtures of polar mesogenic compounds DB5 [benzoic acid, (4-cyano)-4-[(4-pentylphenoxy) carbonyl] phenyl ester] and T8 [(E)-benzoic acid, 4-octyloxy-4-[2-(4-cyanophenyl) ethenyl] phenyl ester]. A detailed synthesis for each of these compounds is presented. The smectic A1 phase in this system shows two collinear diffuse x-ray maxima at incommensurate wave vectors, indicating a tendency to form the predicted Ai1 phase with two strongly coupled density modulations having incommensurate wavelengths. The Ad peak position, while both temperature and concentration dependent, is remarkably constant along the N–Ad phase boundary. In the vicinity of 16 mol % T8, both the x-ray and heat-capacity results are reproducibly history dependent. The simultaneous observation of sharp A2 and Ad peaks most likely results from phase coexistence, but a condensed incommensurate Ai2 phase cannot be ruled out.

  DOI：

  10.1063/1.457798

文献信息

• [EN] SUBSTITUTED THIAZOLES FOR TREATMENT OF HUMAN DISEASES INVOLVING MODULATORS OF P-, L- AND E- SELECTIN<br/>[FR] THIAZOLES SUBSTITUES METTANT EN OEUVRE DES MODULATEURS DES SELECTINES P, L ET E POUR LE TRAITEMENT DE MALADIES HUMAINES
  申请人：ONTOGEN CORP

  公开号：WO2000034255A1

  公开（公告）日：2000-06-15

  Compounds of Formula (1) (where at least one of R?1, R2 or R3¿ contains calcium binding moiety e.g. CO¿2?H etc.) are disclosed. Where R?1¿ is typically a moiety containing a terminal carboxylic acid group such as cinnamic acid or phenoxy acetic acid, R2 is typically a hydrophobic moiety such as functionalized alkyl chain or a functionalized aryl group, and R3 is typically a functionalized aryl group, are within the scope of this invention. These compounds exhibit inhibitory activity against P-, L- and E-selectin and are indicated in the treatment of human diseases involving P-, L- and E-selectin.

  公式（1）的化合物（其中至少一个R？1，R2或R3¿含有钙结合基团，例如CO¿2?H等）被揭示。其中，R？1¿通常是含有末端羧酸基团的基团，例如肉桂酸或苯氧乙酸，R2通常是疏水基团，例如功能化烷基链或功能化芳基基团，R3通常是功能化芳基基团，均属于本发明的范畴。这些化合物表现出对P、L和E选择素的抑制活性，并在治疗涉及P、L和E选择素的人类疾病中得到应用。
• SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION
  申请人：Mercola Mark

  公开号：US20100159596A1

  公开（公告）日：2010-06-24

  Methods and small molecule compounds for stem cell differentiation are provided. One example of a class of compounds that may be used is represented by the compound having the structure IA or IB in the form of free base or a pharmaceutically acceptable salt, hydrate, solvate or N-oxide thereof: R 1 is independently hydrogen or (C 1 -C 6 )alkyl; R 2 is independently hydrogen, (C 1 -C 6 )alkyl, aryl, or heteroaryl; R 2′ is independently hydrogen, (C 1 -C 6 )alkyl, CF 3 or C 2 F 5 ; R 3 is independently (C 1 -C 6 )alkyl, aryl, 2-tetrahydrofurylmethyl, an aliphatic tertiary amine, or 4-methoxybenzyl; or R 2 and R 3 may be joined together to form a 5 or 6 member ring lactone; R 4 is independently hydrogen, (C 1 -C 6 )alkyl, a 2- or 4-R 5 -substituted aromatic ring selected from a 4-R 5 -phenyl or a 2-R 5 -5-pyridyl, aryl, heteroaryl, aliphatic tertiary amine or halogen; and R 5 , R 5′ , R 6 , R 6′ , R 7 , R 7′ , are each independently hydrogen, (C 1 -C 6 )alkyl, aryl, optionally substituted phenyl, heteroaryl, a heterocyclic ring, an aliphatic tertiary amine, or halogen.

  提供干细胞分化的方法和小分子化合物。可以使用的一类化合物的一个示例由结构IA或IB表示，以自由碱基或其药学上可接受的盐，水合物，溶剂或N-氧化物的形式存在：R1独立地是氢或（C1-C6）烷基; R2独立地是氢，（C1-C6）烷基，芳基或杂环芳基; R2'独立地是氢，（C1-C6）烷基，CF3或C2F5; R3独立地是（C1-C6）烷基，芳基，2-四氢呋喃甲基，脂肪族三级胺或4-甲氧基苄基; 或者R2和R3可以结合形成5或6元环内酯; R4独立地是氢，（C1-C6）烷基，2-或4-R5-取代的芳环，选自4-R5-苯基或2-R5-5-吡啶基，芳基，杂环芳基，脂肪族三级胺或卤素; R5，R5'，R6，R6'，R7，R7'独立地是氢，（C1-C6）烷基，芳基，可选取代的苯基，杂环芳基，杂环环，脂肪族三级胺或卤素。
• US4038415A
  申请人：——

  公开号：US4038415A

  公开（公告）日：1977-07-26
• US4016223A
  申请人：——

  公开号：US4016223A

  公开（公告）日：1977-04-05
• US9012217B2
  申请人：——

  公开号：US9012217B2

  公开（公告）日：2015-04-21