1-(4-chlorophenyl)-2-butanol | 126435-92-5

• 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: 1-(4-chlorophenyl)-2-butanol
• 英文别名: 1-(4-chlorophenyl)butan-2-ol
• CAS: 126435-92-5
• 化学式: C₁₀H₁₃ClO
• 分子量: 184.666
• InChiKey: DJUHTKQPVMDXCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1,2-环氧丁烷 、 对氯碘苯 生成 1-(4-chlorophenyl)-2-butanol
  参考文献：
  名称：

  Direct formation and reaction of thienyl-based organocopper reagents

  摘要：

  The preparation of a highly reactive zerovalent copper complex by the direct reduction of lithium (2-thienylcyano)cuprate with preformed lithium naphthalenide is described. This active copper species oxidatively adds to carbon-halogen bonds to form organocopper reagents. The ability to directly form the organocopper reagent from organic halides and active copper allows for the incorporation of a wide variety of functionalities to be present in the organic halides and the organocopper reagents. Significantly, this formulation of active copper was able to oxidatively add to allyl chlorides and acetates at low temperatures to allow the direct formation of allylic organocopper reagents without Wurtz-type homocoupling. These functionalized organocopper compounds are able to undergo a variety of reactions, such as cross-coupling with acid chlorides, 1,4-conjugate addition with alpha,beta-unsaturated carbonyl compounds, and intermolecular and intramolecular epoxide-opening reactions. Subsequently, this copper species avoids the use of phosphine ligands affording the product isolation much more convenient than with phosphine-based organocopper reagents.

  DOI：

  10.1021/jo00061a024

文献信息

• Antifungal carbinols
  申请人：E.I. DU PONT DE NEMOURS AND COMPANY

  公开号：EP0321211A1

  公开（公告）日：1989-06-21

  Antifungal carbinols having the formula wherein: R and R¹ are independently H or CH₃; X and Y¹ are independently H, 1 to 3 halogens or CF₃; and X′ and Y are independently H, CH₃, CF₃, OCF₂H, OCH₃ or SCH₃ and their agriculturally and pharmaceutically suitable salts are useful as plant disease control agents. The compounds may be made e.g. by reacting an appropriate oxirane of formula: with triazole or its alkali metal salt.

  具有以下式子的抗真菌醇：其中：R和R¹分别为H或CH₃；X和Y¹分别为H，1至3个卤素或CF₃；X′和Y分别为H，CH₃，CF₃，OCF₂H，OCH₃或SCH₃，并且它们的农药和药用盐对于植物病害控制剂是有用的。该化合物可以通过将适当的环氧化物与三唑或其碱金属盐反应制备而成。
• SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF
  申请人：Asahi Kasei Pharma Corporation

  公开号：EP1847533A1

  公开（公告）日：2007-10-24

  A compound represented by the general formula (I) or a salt thereof: [T represents oxygen atom and the like; V represents CH2 and the like; RO1 to RO4 represent hydrogen atom and the like; A represents a linear alkylene group or linear alkenylene group having 2 to 8 carbon atoms and the like; D represents carboxyl group and the like; X represents ethylene group, trimethylene group and the like; E represents -CH(OH)- group and the like; and W represent -U1-(RW1)(RW2)-U2-U3 group (U1 represents a single bond, an alkylene group having 1 to 4 carbon atoms and the like; RW1 and RW2 represent hydrogen atom and the like; U2 represents a single bond, an alkylene group having 1 to 4 carbon atoms and the like; and U3 represent an alkyl group having 1 to 8 carbon atoms and the like), or a residue of a carbon ring or heterocyclic compound], which can be utilized as an active ingredient of medicaments effective for prophylactic and/or therapeutic treatment of skeletal diseases such as osteoporosis and fracture, glaucoma, ulcerative colitis and the like.

  通式 (I) 所代表的化合物或其盐： [T 代表氧原子等；V 代表 CH2 等；RO1 至 RO4 代表氢原子等；A 代表具有 2 至 8 个碳原子的直链烯基或直链烯基等；D 代表羧基等；X 代表乙烯基、三亚甲基等；E 代表-CH(OH)- 基等；W 代表-U1-(RW1)(RW2)-U2-U3 基（U1 代表单键、具有 1 至 4 个碳原子的亚烷基等）；RW1 和 RW2 代表氢原子等；U2 代表单键、具有 1 至 4 个碳原子的亚烷基等；U3 代表具有 1 至 8 个碳原子的烷基等），或碳环或杂环化合物的残基]，可用作有效预防和/或治疗骨质疏松症和骨折等骨骼疾病、青光眼、溃疡性结肠炎等疾病的药物的活性成分。
• Rieke, Reuben D.; Wu, Tse-Chong; Stinn, Dean E., Synthetic Communications, 1989, vol. 19, # 11-12, p. 1833 - 1840
  作者：Rieke, Reuben D.、Wu, Tse-Chong、Stinn, Dean E.、Wehmeyer, Richard M.

  DOI：——

  日期：——
• RIEKE, REUBEN D.;WU, TSE-CHONG;STINN, DEAN E.;WEHMEYER, RICHARD M., SYNTH. COMMUN., 19,(1989) N1-12, C. 1833-1840
  作者：RIEKE, REUBEN D.、WU, TSE-CHONG、STINN, DEAN E.、WEHMEYER, RICHARD M.

  DOI：——

  日期：——
• Direct formation and reaction of thienyl-based organocopper reagents
  作者：Reuben D. Rieke、Walter R. Klein、Tse Chong Wu

  DOI：10.1021/jo00061a024

  日期：1993.4

  The preparation of a highly reactive zerovalent copper complex by the direct reduction of lithium (2-thienylcyano)cuprate with preformed lithium naphthalenide is described. This active copper species oxidatively adds to carbon-halogen bonds to form organocopper reagents. The ability to directly form the organocopper reagent from organic halides and active copper allows for the incorporation of a wide variety of functionalities to be present in the organic halides and the organocopper reagents. Significantly, this formulation of active copper was able to oxidatively add to allyl chlorides and acetates at low temperatures to allow the direct formation of allylic organocopper reagents without Wurtz-type homocoupling. These functionalized organocopper compounds are able to undergo a variety of reactions, such as cross-coupling with acid chlorides, 1,4-conjugate addition with alpha,beta-unsaturated carbonyl compounds, and intermolecular and intramolecular epoxide-opening reactions. Subsequently, this copper species avoids the use of phosphine ligands affording the product isolation much more convenient than with phosphine-based organocopper reagents.