2-氯丁酸丁酯 | 62108-74-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 2-氯丁酸丁酯
• 英文名称: 2-chloro-butyric acid butyl ester
• 英文别名: 2-Chlor-buttersaeure-butylester；butyl-2-chlorobutylate；Butyl 2-chlorobutanoate
• CAS: 62108-74-1
• 化学式: C₈H₁₅ClO₂
• 分子量: 178.659
• InChiKey: NULLMNSLPQGSMJ-UHFFFAOYSA-N

物化性质

• 沸点：
  201.6±8.0 °C(Predicted)
• 密度：
  1.016±0.06 g/cm3(Predicted)
• 保留指数：
  1117;1124;1131;1131

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-氯丁酸 、 正丁醇 生成 2-氯丁酸丁酯
  参考文献：
  名称：

  Schjanberg, Zeitschrift fur Physikalische Chemie, Abteilung A: Chemische Thermodynamik, Kinetik, Elektrochemie, Eigenschaftslehre, 1935, vol. 172, p. 231

  摘要：

  DOI：

文献信息

• Transition metal compound, polymerization-initiator system comprising the same, and process for producing polymer
  申请人：Uemura Makoto

  公开号：US20070270521A1

  公开（公告）日：2007-11-22

  A transition metal compound represented by the formula, [(CpR 1 m )(CO) 2 M 1 ][M 2 (CO) 2 (CpR 2 n )], wherein Cp is a cyclopentadienyl ring, R 1 and R 2 are independently of each other a hydrocarbyl group having 1 to 20 carbon atoms, and each of at least one R 1 and at least one R 2 is a hydrocarbyl group having 5 to 20 carbon atoms, m and n are independently of each other an integer of 1 to 5, and M 1 and M 2 are independently of each other a transition metal atom of the group 8 in the periodic table of elements; a polymerization-initiator system comprising said transition metal compound; and a process for producing a polymer in the presence of the polymerization-initiator system.

  一个由该公式表示的过渡金属化合物，[(CpR1m)(CO)2M1][M2(CO)2(CpR2n)]，其中Cp是一个环戊二烯环，R1和R2是独立的烃基团，含有1至20个碳原子，至少一个R1和至少一个R2是含有5至20个碳原子的烃基团，m和n是独立的1至5的整数，M1和M2是元素周期表中8族的过渡金属原子；包括所述过渡金属化合物的聚合物化引发剂系统；以及在聚合物化引发剂系统存在的情况下生产聚合物的过程。
• Resolution of racemic mixtures of aliphatic acid esters
  申请人：STAUFFER CHEMICAL COMPANY

  公开号：EP0196625A2

  公开（公告）日：1986-10-08

  Racemic mixtures of partially water-soluble esters defined by the formula wherein R and R1 represent hydrogen and C,-C4 alkyl; R2 represents C1-C4 alkyl and X represents halogen, aliphatic or aromatic groups and substituted derivatives thereof wherein R, R1 and X are different can be resolved by reducing the water solubility of a racemic mixture of said esters by means other than changing the chemical composition of the ester, contacting the racemic mixture of esters of reduced water solubility with a lipase enzyme from Candida cylindracea capable of stereospecifically resolving the racemic mixture by hydrolysis and stereospecifically resolving the racemic mixture.

  由式定义的部分水溶性酯的外消旋混合物 其中 R 和 R1 代表氢和 C,-C4烷基；R2 代表 C1-C4 烷基，X 代表卤素、脂肪族或芳香族基团及其取代衍生物 其中 R、R1 和 X 不同，可以通过改变酯的化学组成以外的方法降低所述酯的外消旋混合物的水溶性，将水溶性降低的酯的外消旋混合物与能够通过水解立体分辨外消旋混合物的圆柱状念珠菌脂肪酶接触，并立体分辨外消旋混合物，从而解决外消旋混合物的问题。
• Improved process for conducting lipase enzyme hydrolysis
  申请人：STAUFFER CHEMICAL COMPANY

  公开号：EP0257716A2

  公开（公告）日：1988-03-02

  Lipase hydrolysis of an ester group of a substrate can be conducted in the absence of large quantities of water and excess enzyme without extensive inhibition of enzyme activity due to water-soluble product alcohol. A lipase reaction can be efficiently conducted by dispersing a water-­immiscible organic substrate phase in an aqueous phase, washing the reaction continuously while the reaction mixture is maintained in the dispersed state, and continuously removing an amount of aqueous phase substantially equivalent to the washing solution added. The washing solution can be an aqueous neutralizing solution. By this process, water-­soluble product alcohol can be removed from the reaction mixture without removal of substantial quantities of water-­soluble enzyme.

  脂肪酶水解底物的酯基可以在没有大量水和过量酶的情况下进行，而不会因水溶性产物醇而导致酶活性受到广泛抑制。将不溶于水的有机底物相分散在水相中，在反应混合物保持分散状态时不断洗涤反应物，并不断除去与所加入的洗涤液量基本相等的水相，可以有效地进行脂肪酶反应。洗涤液可以是中和水溶液。通过这种工艺，可以从反应混合物中除去水溶性产品醇，而不需要除去大量的水溶性酶。
• Verfahren zur Herstellung von reinen, chlorfreien Cyclopropancarbonsäureestern
  申请人：HÜLS AKTIENGESELLSCHAFT

  公开号：EP0220412B1

  公开（公告）日：1991-04-17
• US4254262A
  申请人：——

  公开号：US4254262A

  公开（公告）日：1981-03-03