3-(2-羟基环己基)丙酸甲酯 | 63714-95-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-(2-羟基环己基)丙酸甲酯
• 英文名称: methyl-3-(2'-hydroxycyclohexyl)propionate
• 英文别名: methyl 3-(2-hydroxycyclohexyl)propionate；Methyl 3-(2-hydroxycyclohexyl)propanoate
• CAS: 63714-95-4
• 化学式: C₁₀H₁₈O₃
• 分子量: 186.251
• InChiKey: SKJIMYBTUMTICC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2918199090

反应信息

• 作为反应物：
  描述：

  3-(2-羟基环己基)丙酸甲酯 、 甲基磺酰氯 生成 methyl 3-(cyclohexen-1-yl)propanoate;methyl 3-cyclohex-2-en-1-ylpropanoate
  参考文献：
  名称：

  CLAUS P. K.; VIERHAPPER F. W.; WILLER R. L., J. ORG. CHEM. , 1977, 42, NO 25, 4016-4023

  摘要：

  DOI：
• 作为产物：
  描述：

  3-(2-氧代环己基)丙酸甲酯 在 sodium tetrahydroborate 作用下， 生成 3-(2-羟基环己基)丙酸甲酯
  参考文献：
  名称：

  Synthesis of methyl-substituted trans- and cis-1-thiadecalins

  摘要：

  DOI：

  10.1021/jo00445a006

文献信息

• Catalytic process of producing coumarin and derivatives thereof
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0551019A1

  公开（公告）日：1993-07-14

  A 3-(2-oxocyclohexyl)propionic acid ester of a specified formula, which has a terminal Cl-4 alkyl, is cyclized and dehydrogenated to form the corresponding coumarin or derivative thereof in the presence as catalyst of 0.1-5 wt%, by wt of the ester, of palladium supported mostly (preferably at least 90% of the Pd) in the surface portion of a carrier, which can be an element of Group IIA, IIIA or IVA or a compound thereof, e.g. carbon, used as a powder of particle size 1-50 µm. The reaction is at 100-350°C (preferably 230-280°C), and can be in a solvent, and optionally with a co-catalyst. The products are obtained in better yield than with prior forms of the catalyst, and are useful in the perfume industry.

  根据指定的配方，将具有末端Cl-4烷基的3-(2-氧代环己基)丙酸酯环化并脱氢，在存在0.1-5重量％的钯催化剂的情况下（按酯的重量计），其中大部分（优选至少90％的Pd）支撑在载体的表面部分，该载体可以是IIA、IIIA或IVA族元素或其化合物，例如碳，以1-50μm的粒径粉末形式使用。反应温度为100-350°C（优选230-280°C），可以在溶剂中进行，也可以选择性地使用共催化剂。与先前形式的催化剂相比，产品产率更高，并且在香料行业中具有用途。
• Cobalt mediated regioselective ring opening of oxiranes with benzenethiol: a mechanistic study
  作者：Javed lqbal、Anu Pandey、Alka Shukla、Rajiv Ranjan Srivastava、Sanjay Tripathi

  DOI：10.1016/s0040-4020(01)96012-0

  日期：1990.1
• Hydrogenation of coumarin to octahydrocoumarin over a Ru/C catalyst
  作者：Dana Bílková、Petr Jansa、Iva Paterová、Libor Červený

  DOI：10.1016/s1872-2067(15)60860-9

  日期：2015.7

  The production of octahydrocoumarin, which can serve as a replacement for toxic coumarin, was investigated using 5% Ru on active carbon (Ru/C) as the catalyst for the hydrogenation of coumarin. The hydrogenation was studied by optimizing the reaction conditions (pressure, solvent and coumarin concentration). The activity and selectivity of the Ru/C catalyst were compared for different solvents. The mechanism of coumarin hydrogenation was deduced. The formation of side products was explained. The optimal hydrogenation reaction conditions were: 130 degrees C, 10 MPa, 60 wt% coumarin in methanol, and 0.5 wt% (based on coumarin) of Ru/C catalyst. At the complete conversion of coumarin, the selectivity to the desired product was 90%. (C) 2015, Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by Elsevier B.V. All rights reserved.
• Process for producing octahydrocoumarin or derivative thereof
  申请人：SUMITOMO CHEMICAL COMPANY LIMITED

  公开号：EP0533378B1

  公开（公告）日：1996-12-04
• Synthesis of methyl-substituted trans- and cis-1-thiadecalins
  作者：Peter K. Claus、Friedrich W. Vierhapper、Rodney L. Willer

  DOI：10.1021/jo00445a006

  日期：1977.12