4-(p-Acetyl-phenyl)-2-butanol | 130079-02-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(p-Acetyl-phenyl)-2-butanol
• 英文别名: 1-[4-(3-Hydroxybutyl)phenyl]ethanone
• CAS: 130079-02-6
• 化学式: C₁₂H₁₆O₂
• 分子量: 192.258
• InChiKey: KECZLWNCVDLMSF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• [EN] PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED ESTERS AND ALCOHOLS<br/>[FR] PROCEDE D'ELABORATION D'ESTERS ET D'ALCOOLS A ENRICHISSEMENT ENANTIOMERE
  申请人：DSM IP ASSETS BV

  公开号：WO2005014509A1

  公开（公告）日：2005-02-17

  The invention relates to a process for the preparation of an enantiomerically enriched ester, in which a mixture of the enantiomers of the corresponding chiral secondary alcohol in the presence of a racemisation catalyst for the substrate is subjected to an enantioselective acylation with the aid of an acyl donor and a stereoselective acylation catalyst upon which the enantiomerically enriched ester and an acyl donor residue are formed, in the presence of a carbonyl compound and wherein the racemisation catalyst comprises at least one ligand and a metal M chosen from group IIIa, IIIb, IVb of the periodic system, preferably Al.

  该发明涉及一种用于制备对映体富集酯的方法，其中在底物的旋光异构体混合物存在下，通过使用一个底物的消旋催化剂，将相应的手性二级醇的旋光异构体混合物进行不对称酰化，借助酰基供体和立体选择性酰化催化剂，在存在羰基化合物的情况下，形成对映体富集酯和一个酰基供体残基，其中消旋催化剂包括至少一种配体和选择自周期系统的IIIa、IIIb、IVb族金属M，优选为铝。
• Novel optically active benzene derivatives, process for producing the same and liquid-crystalline composition containing said derivatives as liquid-crystalline compound and light switching elements
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0360622A2

  公开（公告）日：1990-03-28

  Disclosed are herein optically active benzene derivatives represented by the formula (I): (wherein R1 represents an alkyl group having 3 to 20 carbon atoms; Y represents -0-, -COO- or -OCO-; m, p and s each represents a number of 0 or 1; Ar represents provided that when p is 1 Ar represents when p is 0 Ar represents X represents -COO- or -OCO-; Z represents wherein q represents a number of 1 to 5, t represents a number of 0 to 5, ℓ represents a number of 1 or 2, u represents a number of 0 or 1 and indicates asymmetric carbon atom; provided that when Ar represents Z represents when P is 0 Z represents with the proviso that when t is 0 Ar represents R2 represents an alkyl or alkoxyalkyl group having 1 to 20 carbon atoms optionally substituted by halogen atoms; provided that when u is 0, R2 represents an optically active alkyl or alkoxyalkyi group having 1 to 20 carbon atoms optionally substituted by halogen atoms), preparation processes therefor, liquid crystal composition containing such benzene derivatives as liquid-crystalline compound, and a light switching element using said liquid crystal composition as liquid crystal element.

  本文公开了由式（I）代表的光学活性苯衍生物： (其中 R1 代表具有 3 至 20 个碳原子的烷基；Y 代表 -0-、-COO- 或 -OCO-；m、p 和 s 各代表 0 或 1；Ar 代表 但当 p 为 1 时，Ar 代表 当 p 为 0 时，Ar 代表 X 代表-COO-或-OCO-； Z 代表 其中 q 代表 1 至 5 的数字，t 代表 0 至 5 的数字，ℓ 代表 1 或 2 的数字，u 代表 0 或 1 的数字，并表示不对称碳原子；条件是当 Ar 代表 Z 代表 当 P 为 0 时，Z 代表 但当 t 为 0 时，Ar 代表 R2 代表具有 1 至 20 个碳原子、可任选被卤素原子取代的烷基或烷氧基烷基；但当 u 为 0 时，R2 代表具有 1 至 20 个碳原子、可任选被卤素原子取代的光学活性烷基或烷氧基烷基）、其制备工艺、含有此类苯衍生物作为液晶化合物的液晶组合物，以及使用所述液晶组合物作为液晶元件的光开关元件。
• Process for the preparation of enantiomerically enriched esters and alcohols
  申请人：——

  公开号：US20040077059A1

  公开（公告）日：2004-04-22

  Method for the preparation of an enantiomerically enriched ester, in which a mixture of the enantiomers of the corresponding secondary alcohol is subjected, in the presence of an acyl donor, to an enantioselective conversion in the presence of a racemisation catalyst upon which the ester is formed and an acyl donor residue is obtained, and in which the acyl donor residue is irreversibly removed from the phase in which the enantioselective conversion takes place. Preferably the enantioselective conversion is carried out enzymatically and a transfer hydrogenation catalyst is used as racemisation catalyst. The secondary alcohol can be formed in situ from the corresponding ketone, in the presence of a hydrogen donor. It is also possible to use a mixture of the secondary alcohol and the corresponding ketone as substrate. Preferably the acyl donor is chosen so that the acyl donor residue is converted in situ into another compound and/or the acyl donor residue is removed via distillation under reduced pressure. The enantiomerically enriched esters obtained can subsequently be converted into the corresponding enantiomerically enriched alcohols, which are desirable intermediate products in the preparation of liquid crystals, agro chemicals or pharmaceuticals.

  制备对映体富集酯的方法，在该方法中，相应仲醇的对映体混合物在酰基供体存在下，在消旋化催化剂存在下进行对映体选择性转化，在此过程中形成酯并获得酰基供体残留物，酰基供体残留物不可逆转地从进行对映体选择性转化的相中移除。最好用酶法进行对映选择性转化，并使用转移氢化催化剂作为消旋化催化剂。 在氢供体存在的情况下，仲醇可由相应的酮原位生成。也可以使用仲醇和相应酮的混合物作为底物。 最好选择酰基供体，以便酰基供体残留物就地转化为另一种化合物和/或通过减压蒸馏除去酰基供体残留物。 获得的对映体富集酯随后可转化为相应的对映体富集醇，这些醇是制备液晶、农用化学品或药物的理想中间产品。
• Method of preparation of nabumetone
  申请人：HOECHST CELANESE CORPORATION

  公开号：EP0376516B1

  公开（公告）日：1993-02-10
• PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED ESTERS AND ALCOHOLS
  申请人：DSM IP Assets B.V.

  公开号：EP1283898B1

  公开（公告）日：2006-05-10