1,4-二氯丁烷-2-酮 | 16714-78-6

• 物质功能分类: 有机原料 - 酮类化合物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1,4-二氯丁烷-2-酮
• 中文别名: 2-丁酮,1,4-二氯
• 英文名称: 1,4-dichloro-2-butanone
• 英文别名: 1,4-Dichlorobutanone；1,4-dichloro-butan-2-one；1,4-Dichlor-butan-2-on；1,4-Dichlor-butanon-(2)；1,4-Dichlor-butanon；1,4-Dichlorobutan-2-one
• CAS: 16714-78-6
• 化学式: C₄H₆Cl₂O
• mdl: MFCD16038619
• 分子量: 140.997
• InChiKey: UDNZDMGFDFBONM-UHFFFAOYSA-N

物化性质

• 沸点：
  65 °C(Press: 3 Torr)
• 密度：
  1.3295 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  7
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2914700090

反应信息

• 作为反应物：
  描述：

  1,4-二氯丁烷-2-酮 在 N,N-二异丙基乙胺 作用下， 以 乙醚 为溶剂， 生成 1-chloro-3-buten-2-one
  参考文献：
  名称：

  Lattrell,R., Justus Liebigs Annalen der Chemie, 1974, p. 1362 - 1390

  摘要：

  DOI：
• 作为产物：
  描述：

  重氮甲烷 、 3-氯丙酰氯 在 盐酸 作用下， 生成 1,4-二氯丁烷-2-酮
  参考文献：
  名称：

  Lithium or Bromomagnesium 1,4- and 1,5-Dilithioalkan-2-yloxides: Preparation and Synthetic Applications

  摘要：

  将氯甲基2-或3-氯烷醇处理与丁基锂，然后与萘锂，或与溴化乙基镁处理后再与粉末状锂，分别会形成锂或溴镁二锂醚，这些物质代表了三阴离子物种。溴镁1,ω-二锂-2-醚会立即脱除溴化锂和氧化镁，生成ω-锂-1-烯烃。这些后者的有机金属化合物以及锂二锂醚与各种电亲体反应，生成功能化的化合物。

  DOI：

  10.1055/s-1985-31412

文献信息

• Preparation and Biological Activity of 2-(4-(Thiazol-2-yl)phenyl)propionic Acid Derivatives Inhibiting Cyclooxygenase.
  作者：Youichiro NAITO、Tomokazu GOTO、Fumihiko AKAHOSHI、Shiniciro ONO、Haruko YOSHITOMI、Tadashi OKANO、Naoki SUGIYAMA、Shunichi ABE、Syuichi HANADA、Mitsuru HIRATA、Masahiro WATANABE、Chikara FUKAYA、Kazumasa YOKOYAMA、Toshio FUJITA

  DOI：10.1248/cpb.39.2323

  日期：——

  A series of 2-[4-(thiazol-2-yl)phenyl]propionic acids substituted at various positions were prepared by the reaction of diethyl 2-methyl-2-(4-thiocarbamoylphenyl)malonates with alpha-bromoaldehyde diethyl acetals or alpha-haloketones followed by hydrolysis of esters. The inhibition of prostaglandin H synthetase (cyclooxygenase) was assayed by use of an enzyme preparation from guinea pig polymorphonuclear

  通过使2-甲基-2-（4-硫代氨基甲酰基苯基）丙二酸二乙酯与α-溴醛二乙缩醛或α反应制备一系列在各个位置取代的2- [4-（噻唑-2-基）苯基]丙酸。 -卤代酮，然后酯水解。通过使用来自豚鼠多形核白细胞的酶制剂测定前列腺素H合成酶（环加氧酶）的抑制作用。这些化合物的结构活性关系的研究表明，苯环3位（R1）处的卤素和噻唑环4位（R2）和/或5位（R3）处的甲基被卤素取代是有利的抑制活性。在R2位带有大的烷基或极性官能团的化合物是弱抑制剂。测试了有效的环氧合酶抑制剂减轻角叉菜胶诱导的大鼠爪炎症的能力。这些衍生物由于对环加氧酶的强抑制作用而具有很强的抗炎活性，除了一些例外，包括那些在R1处带有硫代甲基的衍生物。
• Benzhydrylpiperozinyl thiazole derivatives and pharmaceutical
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US04411900A1

  公开（公告）日：1983-10-25

  Benzhydrylpiperazinyl Thiazole compounds of the formula ##STR1## wherein R.sup.1 is hydrogen, amino, or mono- or di- substituted amino, in which the substituent is selected from lower alkyl, acyl and di(lower)alkylaminomethylene, R.sup.2 is hydrogen, halogen, lower alkyl or aryl, R.sup.3 is ar(lower)alkyl optionally substituted by halogen, A is lower alkylene optionally interrupted by a sulfur atom, and Y is C.sub.1 -C.sub.3 alkylene, having antiallergic activity.

  Benzhydrylpiperazinyl噻唑化合物的化学式为##STR1##其中R.sup.1为氢，氨基，或者单取代或双取代氨基，取代基选自较低的烷基，酰基和二(较低)烷基氨基甲烯，R.sup.2为氢，卤素，较低的烷基或芳基，R.sup.3为可选择地被卤素取代的芳基(较低)烷基，A为可选择地由硫原子中断的较低烷基，Y为C.sub.1 -C.sub.3烷基，具有抗过敏活性。
• Triazinobenzodiazepines
  申请人：The Upjohn Company

  公开号：US04028356A1

  公开（公告）日：1977-06-07

  Compounds of formula IV: ##STR1## wherein R and R.sub.2 are hydrogen or methyl; wherein R.sub.1 is --COOH, --COOR' in which R' is alkyl of 1 to 3 carbon atoms, inclusive, --(CnH.sub.2 n)A in which n is an integer of 1 to 3 and A is fluoro, chloro, bromo, trifluoromethyl, hydroxy, alkoxy, in which the alkyl group is defined as above, or ##STR2## in which R" and R'" are hydrogen or alkyl as defined above or together ##STR3## is pyrrolidino, piperidino, morpholino, 4-methylpiperazino, 4-(2-hydroxyethyl)-piperazino; wherein R.sub.3 is hydrogen, fluoro, chloro, bromo, trifluoromethyl, or nitro; and wherein Ar is phenyl, o-chlorophenyl, o-fluorophenyl, 2,6-difluorophenyl, or 2-pyridyl, are produced. The compounds of formula IV of this invention are sedatives, tranquilizers and muscle-relaxants and can be used for such purposes in mammals and birds.

  IV式化合物：##STR1##其中R和R.sub.2为氢或甲基；其中R.sub.1为--COOH，--COOR'，其中R'为1至3个碳原子的烷基，包括，--(CnH.sub.2 n)A，其中n为1至3的整数，A为氟、氯、溴、三氟甲基、羟基、烷氧基，其中烷基团如上所定义，或##STR2##其中R"和R'"为如上所定义的氢或烷基，或一起##STR3##为吡咯啉基、哌啶基、吗啉基、4-甲基哌嗪基、4-(2-羟乙基)-哌嗪基；其中R.sub.3为氢、氟、氯、溴、三氟甲基或硝基；Ar为苯基、邻氯苯基、邻氟苯基、2,6-二氟苯基或2-吡啶基。本发明的IV式化合物是镇静剂、安定剂和肌肉松弛剂，可用于哺乳动物和鸟类。
• Benzopiperidine derivatives
  申请人：Eisai Co., Ltd.

  公开号：US20040092737A1

  公开（公告）日：2004-05-13

  Benzopiperidine derivatives represented by formula (I), salts thereof or hydrates thereof, processes for producing the same and drugs comprising the same: 1 wherein the variables are as described in the specification. These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and rejection reaction accompanying organ transplantation.

  式（I）所表示的苯并哌啶衍生物及其盐或水合物，制备该化合物的方法和包含该化合物的药物：1其中，变量如规范所述。这些化合物在预防和治疗各种炎症性疾病和免疫性疾病方面具有药效，例如类风湿性关节炎、特应性皮炎、银屑病、哮喘和器官移植伴随的排斥反应。
• OXIDOREDUCTASES FOR THE STEREOSELECTIVE REDUCTION OF KETO COMPOUNDS
  申请人：Tschentscher Anke

  公开号：US20090311762A1

  公开（公告）日：2009-12-17

  The invention relates to a process for the enantioselective enzymatic reduction of a keto compound to the corresponding chiral hydroxy compound, wherein the keto compound is reduced with an oxidoreductase in the presence of a cofactor, and is characterized in that an oxidoreductase is used which has an amino acid sequence in which (a) at least 70% of the amino acids are identical to the amino acids of one of the amino acid sequences SEQ ID No 1, SEQ ID No 6 and SEQ ID No 8, or (b) at least 55% of the amino acids are identical to the amino acids of the amino acid sequence SEQ ID No 2, or (c) at least 65% of the amino acids are identical to the amino acids of the amino acid sequence SEQ ID No 3, or (d) at least 75% of the amino acids are identical to the amino acids of the amino acid sequence SEQ ID No 4, or (e) at least 65% of the amino acids are identical to the amino acids of the amino acid sequence SEQ ID No 5, or (f) at least 50% of the amino acids are identical to the amino acids of the amino acid sequence SEQ ID No 7, or (g) at least 72% of the amino acids are identical to the amino acids of the amino acid sequence SEQ ID No 129.

  本发明涉及一种手性选择性酶催化还原酮类化合物为相应的手性羟基化合物的过程，其中在辅因子存在下将酮类化合物还原为相应的手性羟基化合物。其特征在于使用具有氨基酸序列的氧化还原酶，其中（a）至少70％的氨基酸与氨基酸序列SEQ ID No 1、SEQ ID No 6和SEQ ID No 8的氨基酸相同，或（b）至少55％的氨基酸与氨基酸序列SEQ ID No 2的氨基酸相同，或（c）至少65％的氨基酸与氨基酸序列SEQ ID No 3的氨基酸相同，或（d）至少75％的氨基酸与氨基酸序列SEQ ID No 4的氨基酸相同，或（e）至少65％的氨基酸与氨基酸序列SEQ ID No 5的氨基酸相同，或（f）至少50％的氨基酸与氨基酸序列SEQ ID No 7的氨基酸相同，或（g）至少72％的氨基酸与氨基酸序列SEQ ID No 129的氨基酸相同。