1-(p-chlorophenoxy)-butan-2-ol | 56220-26-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(p-chlorophenoxy)-butan-2-ol
• 英文别名: 1-(4-chlorophenoxy)-butane-2-ol；1-(4-Chlorophenoxy)-butan-2-ol；1-(4-chlorophenoxy)butan-2-ol
• CAS: 56220-26-9
• 化学式: C₁₀H₁₃ClO₂
• 分子量: 200.665
• InChiKey: NANIXRHWNFEIFW-UHFFFAOYSA-N

物化性质

• 沸点：
  301.6±17.0 °C(Predicted)
• 密度：
  1.161±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(p-chlorophenoxy)-butan-2-ol 在 吡啶 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 Benzyl-carbamic acid 1-(4-chloro-phenoxymethyl)-propyl ester
  参考文献：
  名称：

  Phytoene Desaturase Inhibition by O-(2-Phenoxy)ethyl-N-aralkylcarbamates

  摘要：

  O-[1-Ethyl-2-(3-trifluoromethylphenoxy)]ethyl-N-benzylcarbamate exhibits a marked inhibition of carotenoid biosynthesis. Forty-one analogues were synthesized and assayed for plant-type phytoene desaturase (PDS) and zeta-carotene desaturase (ZDS) inhibition in a cell-free system using recombinant enzymes obtained from Escherichia coli transformants. The target enzyme of all carbamates synthesized in this study is PDS and not ZDS; no inhibition of ZDS was observed using a 10(-4) M inhibitor concentration. Four compounds, O-[1-ethyl-2-(3-trifluoromethylphenoxy)]ethyl-N-(2-phenylethyl)carbamate (23), O-[1-ethyl-2-(3-trifluoromethylphenoxy)]ethyl-N-(2-chlorobenzyl)carbamate (25), O-[1-ethyl-2-(3-trifluoromethylphenoxy)]ethyl-N-(2-chlorobenzyl)carbamate (26), and a[1-methyl-2(3-trifluoromethylphenoxy)]ethyl-N-benzylcarbamate (30), were the most potent PDS inhibitors. Their p/(50) values, the negative logarithms of the molar concentration that produces a 50% inhibition, were 7.5, representing the same inhibitory activity as norflurazon. With respect to a structure-activity relationship the oxygen atom of the phenoxy group and a carbamate structure in O-(1-ethyl-2-phenoxy) ethyl-N-aralkylcarbamates studied were found to be essential for strong PDS inhibitors. Also, introduction of an ethyl group at the alpha-position of the ethylene bridge between the phenoxy group and the carbamate was important for a strong PDS inhibitor. Substituents at the 2- and/or 3-position of the phenoxybenzene ring were found to be favorable to a strong PDS inhibition of the analogues.

  DOI：

  10.1021/jf0262413
• 作为产物：
  描述：

  对氯苯酚 以84.5%的产率得到1-(p-chlorophenoxy)-butan-2-ol
  参考文献：
  名称：

  .beta.-Phenoxy or substituted phenoxy ethanol compounds

  摘要：

  新型的.beta.-苯氧基或取代苯氧基-乙醇化合物或其酯，其表达式如下：##STR1##其中R.sup.1是氢原子或烷基，R.sup.2是氢原子或取代基，Y是--OH基团或基团##STR2##，R.sup.3是烷基，n是1到3的整数。这些化合物具有幼虫激素活性，可用于激素杀虫和增加蚕茧产量。

  公开号：

  US04016186A1

文献信息

• [EN] ALPHA-SULFONYLAMINO-ACETONITRILES<br/>[FR] ACETONITRILES ALPHA-SULFONYLAMINES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2004000797A1

  公开（公告）日：2003-12-31

  The invention relates to α-sulfonylamino-acetonitrile derivatives of the general formula (I) including the optical isomers thereof and mixtures of such isomers, wherein Ar1, and Ar2 independently of each other stand for an optionally substituted aryl or heteroaryl group, R1, and R2 stand independently of each other for hydrogen, optionally substituted C1,-C5alkyl, optionally substituted C2-C5alkenyl, C2-C5alkynyl or optionally substituted C3-C6cycloalkyl; R3 designates hydrogen, C3-C5alkenyl, C3-C5alkynyl or optionally substituted C1,-C5alkyl; R4 is optionally substituted C1,-C5alkyl, optionally substituted C2-C5alkenyl, C2-C5alkynyl or optionally substituted C3-C6cycloalkyl; R5 and R6 are independently of each other hydrogen or optionally substituted C1-C5alkyl, optionally substituted C2-C5alkenyl, C2-C5alkynyl or optionally substituted C3-C6cycloalkyl; R7, and R8 are independently of each other hydrogen or optionally substituted C1,-C5alkyl, optionally substituted C2-C5alkenyl, C2-C5alkynyl or optionally substituted C3-C6cycloalkyl; W designates a bridge selected from -0- -S(O)m- or -NR3- ; X designates a direct bond or a bridge selected from -0-, -S(O)m- or -NR3- ; a and b independently of each other stand for a number 1, 2 or 3; and c and m independently of each other stand for a number zero, 1 or 2. These compounds possess useful plant protecting properties and may advantageously be employed in agricultural practice for controlling or preventing the infestation of plants by phytopathogenic microorganisms, especially fungi.

  本发明涉及一般式（I）的α-磺酰氨基乙腈衍生物，包括其光学异构体和这些异构体的混合物，其中Ar1和Ar2独立地代表可选的取代芳基或杂环芳基基团，R1和R2独立地代表氢，可选的取代C1-C5烷基，可选的取代C2-C5烯基，C2-C5炔基或可选的取代C3-C6环烷基；R3代表氢，C3-C5烯基，C3-C5炔基或可选的取代C1-C5烷基；R4是可选的取代C1-C5烷基，可选的取代C2-C5烯基，C2-C5炔基或可选的取代C3-C6环烷基；R5和R6独立地代表氢或可选的取代C1-C5烷基，可选的取代C2-C5烯基，C2-C5炔基或可选的取代C3-C6环烷基；R7和R8独立地代表氢或可选的取代C1-C5烷基，可选的取代C2-C5烯基，C2-C5炔基或可选的取代C3-C6环烷基；W代表从-0-，-S（O）m-或-NR3-中选择的桥；X代表直接键或从-0-，-S（O）m-或-NR3-中选择的桥；a和b独立地代表数字1、2或3；c和m独立地代表数字零、1或2。这些化合物具有有用的植物保护性能，并可以优势地用于农业实践中，用于控制或预防植物被植物病原微生物，特别是真菌的侵害。
• Complex catalyst, process for producing the complex catalyst, and process for producing alchohol derivative with the complex catalyst
  申请人：——

  公开号：US20040077487A1

  公开（公告）日：2004-04-22

  There are provided (asymmetric) complex catalysts comprising metal complexes and Lewis acids as components, the metal complex being of formula (1): 1 wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and R 8 are the same or different and are independently hydrogen, halogen, alkyl or the like; one of R 9 and R 10 is hydrogen and the other is alkyl of 1 to 4 carbon atoms or the like; Q is a single bond or alkylene of 1 to 4 carbon atoms; M is a metal ion; and A is a balancing counter ion or ligand; processes for the production of these complex catalysts; processes for the production of (optically active) alcohol derivatives, characterized in that cyclic ether compounds are reacted with phenol derivatives in the presence of these complex catalysts; and further processes for producing (optically active) nitrogen-containing heterocyclic compounds by reacting these alcohol derivatives with halogenated nitrogen-containing heterocyclic compounds in the presence of a base.

  提供了由金属配合物和路易斯酸组成的（不对称的）复杂催化剂，其中金属配合物的化学式为（1）：1其中R1、R2、R3、R4、R5、R6、R7和R8相同或不同，独立地是氢、卤素、烷基或类似物；R9和R10中的一个是氢，另一个是1至4个碳原子的烷基或类似物；Q是单键或1至4个碳原子的烷基；M是金属离子；A是平衡的反离子或配体；制备这些复杂催化剂的方法；制备（光学活性的）醇衍生物的方法，其特征在于在这些复杂催化剂的存在下，环氧化合物与酚衍生物反应；以及在碱的存在下，通过将这些醇衍生物与卤素化的含氮杂环化合物反应，制备（光学活性的）含氮杂环化合物的进一步方法。
• Alpha-sulfonylamino-acetonitriles
  申请人：Eberle Martin

  公开号：US20050234125A1

  公开（公告）日：2005-10-20

  The invention relates to α-sulfonylamino-acetonitrile derivatives of the general formula (I) including the optical isomers thereof and mixtures of such isomers, wherein Ar 1 , and Ar 2 independently of each other stand for an optionally substituted aryl or heteroaryl group, R 1 , and R 2 stand independently of each other for hydrogen, optionally substituted C 1 ,-C 5 alkyl, optionally substituted C 2 -C 5 alkenyl, C 2 -C 5 alkynyl or optionally substituted C 3 -C 6 cycloalkyl; R 3 designates hydrogen, C 3 -C 5 alkenyl, C 3 -C 5 alkynyl or optionally substituted C 1 ,-C 5 alkyl; R 4 is optionally substituted C 1 ,-C 5 alkyl, optionally substituted C 2 -C 5 alkenyl, C 2 -C 5 alkynyl or optionally substituted C 3 -C 6 cycloalkyl; R 5 and R 6 are independently of each other hydrogen or optionally substituted C 1 -C 5 alkyl, optionally substituted C 2 -C 5 alkenyl, C 2 -C 5 alkynyl or optionally substituted C 3 -C 6 cycloalkyl; R 7 , and R 8 are independently of each other hydrogen or optionally substituted C 1 ,-C 5 alkyl, optionally substituted C 2 -C 5 alkenyl, C 2 -C 5 alkynyl or optionally substituted C 3 -C 6 cycloalkyl; W designates a bridge selected from —O— —S(O)m- or —NR 3 —; X designates a direct bond or a bridge selected from —O—, —S(O)m- or —NR 3 —; a and b independently of each other stand for a number 1, 2 or 3; and c and m independently of each other stand for a number zero, 1 or 2. These compounds possess useful plant protecting properties and may advantageously be employed in agricultural practice for controlling or preventing the infestation of plants by phytopathogenic microorganisms, especially fungi.

  本发明涉及一般式（I）的α-磺酰基氨基乙腈衍生物，包括其光学异构体和混合物，其中Ar1和Ar2分别代表可选取代的芳基或杂环芳基基团，R1和R2分别独立地代表氢、可选取代的C1-C5烷基、可选取代的C2-C5烯基、C2-C5炔基或可选取代的C3-C6环烷基；R3代表氢、C3-C5烯基、C3-C5炔基或可选取代的C1-C5烷基；R4是可选取代的C1-C5烷基、可选取代的C2-C5烯基、C2-C5炔基或可选取代的C3-C6环烷基；R5和R6独立地代表氢或可选取代的C1-C5烷基、可选取代的C2-C5烯基、C2-C5炔基或可选取代的C3-C6环烷基；R7和R8独立地代表氢或可选取代的C1-C5烷基、可选取代的C2-C5烯基、C2-C5炔基或可选取代的C3-C6环烷基；W代表从-O-，-S（O）m-或-NR3-中选择的桥；X代表直接键或从-O-，-S（O）m-或-NR3-中选择的桥；a和b独立地代表数字1、2或3；c和m独立地代表数字0、1或2。这些化合物具有有用的植物保护性能，可以在农业实践中优势地用于控制或预防植物受植物病原微生物，特别是真菌的侵袭。
• Substituted Imidazo Ring Systems and Methods
  申请人：Dellaria F. Joseph

  公开号：US20070259881A1

  公开（公告）日：2007-11-08

  Imidazo ring systems, which include, for example, imidazopyridine, imidazoquinoline, 6,7,8,9-tetrahydroimidazoquinoline, imidazonaphthyridine, and 6,7,8,9-tetrahydroimidazonaphthyridine compounds substituted at the 1-position and/or the 2-position, pharmaceutical compositions containing these compounds, methods of making these compounds, and methods of use of these compounds as immunomodulators, for inducing cytokine biosynthesis in animals and in the treatment of diseases including viral and neoplastic diseases are disclosed.

  本文介绍了咪唑环系统，包括咪唑吡啶、咪唑喹啉、6,7,8,9-四氢咪唑喹啉、咪唑萘啶和6,7,8,9-四氢咪唑萘啶化合物，这些化合物在1位和/或2位被取代，以及含有这些化合物的药物组合物，制备这些化合物的方法，以及将这些化合物用作免疫调节剂的方法，用于在动物中诱导细胞因子生物合成和治疗包括病毒性和肿瘤性疾病的方法。
• Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain
  申请人：Cid-Nunez Jose Maria

  公开号：US20080262076A1

  公开（公告）日：2008-10-23

  This invention concerns novel substituted tetracyclic tetrahydrofuran derivatives containing a cyclic amine side chain with binding affinities towards dopamine receptors, in particular dopamine D 2 receptors, towards serotonin receptors, in particular 5-HT 2A and 5-HT 2C receptors, and pharmaceutical compositions comprising the compounds according to the invention, the use thereof as a medicine, in particular for the prevention and/or treatment of a range of psychiatric and neurological disorders, in particular certain psychotic, cardiovascular and gastrokinetic disorders and processes for their production. The compounds according to the invention can be represented by general Formula (I) and comprises also a pharmaceutically acceptable acid or base addition salt thereof, an N-oxide form thereof or a quaternary ammonium salt thereof, wherein all substituents are defined as in Claim 1.

  本发明涉及一种新型取代四环四氢呋喃衍生物，其含有一个环状胺侧链，具有结合多巴胺受体的亲和力，特别是多巴胺D2受体，对5-HT2A和5-HT2C受体的亲和力，以及包含根据本发明的化合物的制药组合物，其用作药物，特别是用于预防和/或治疗一系列精神和神经疾病，特别是某些精神病、心血管和胃动力紊乱，并提供其生产过程。根据本发明的化合物可以用一般式（I）表示，并包括其药学上可接受的酸或碱盐、N-氧化物形式或季铵盐，其中所有取代基在权利要求书1中定义。