2-氯丙酸丙酯 | 1569-03-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 2-氯丙酸丙酯
• 英文名称: 2-chloro-propionic acid propyl ester
• 英文别名: 2-Chlor-propionsaeure-propylester；n-propyl chloropropionate；propyl-2-chloropropionate；Propyl 2-chloropropanoate
• CAS: 1569-03-5
• 化学式: C₆H₁₁ClO₂
• mdl: MFCD06252278
• 分子量: 150.605
• InChiKey: XVDQGLUGZORASO-UHFFFAOYSA-N

物化性质

• 沸点：
  68 °C(Press: 23 Torr)
• 密度：
  1.054±0.06 g/cm3(Predicted)
• 保留指数：
  923;930;932;941;950;932;932

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2915900090

反应信息

• 作为反应物：
  描述：

  2-氯丙酸丙酯 、 对苯二酚 在 potassium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 生成 (R, S)-propyl 4-(2-hydroxyphenoxy)propanoate
  参考文献：
  名称：

  Resolution of (R, S)-ethyl-2-(4-hydroxyphenoxy) propanoate using lyophilized mycelium of Aspergillus oryzae WZ007

  摘要：

  The mycelium of Aspergillus oryzae WZ007 was successfully developed to kinetic resolution of (R, S)-ethyl-2-(4-hydroxyphenoxy) propanoate ((R, S)-EHPP) for production of (R)-ethyl-2-(4-hydroxyphenoxy) propanoate ((R)-EHPP). The key biocatalytic process parameters (pH, temperature, rotation speed and substrate concentration) were optimized. Under the optimum conditions, the optical purity of (R)-EHPP was improved up to >99% when the conversion was above 49%. A. oryzae WZ007 whole-cell lipase exhibited high reaction capacity, enantioselectivity and good reusability. The tolerable substrate concentration was 0.5 mol/L, and dry mycelium of A. oryzae WZ007 maintains over 80% of its initial activity after eight repeating cycles. Therefore the enzymatic preparation of (R)-EHPP route was suitable for industrial application. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcatb.2013.07.016

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。
• PROCESS FOR PRODUCING WINE LACTONE
  申请人：Yagi Kenji

  公开号：US20130030193A1

  公开（公告）日：2013-01-31

  The present invention relates to a method comprising (A) reacting a β-keto ester with a 2-halo ester under basic conditions to obtain a 2-aceto-3-methyl-succinic acid ester; (B) reacting the resulting 2-aceto-3-methyl-succinic acid ester with methyl vinyl ketone under basic conditions, optionally followed by a decarboxylation reaction and hydrolysis, etc., to obtain an α-methyl-γ-keto acid; and (C) reducing the resulting α-methyl-γ-keto acid to obtain wine lactone or a stereoisomer thereof or a mixture thereof. Alternatively, the present invention relates to a method comprising step (A) as recited above; (B) reacting the resulting 2-aceto-3-methyl-succinic acid ester with methyl vinyl ketone under basic conditions, followed by decarboxylation reaction to obtain an α-methyl-γ-keto acid ester; and (E) reducing the resulting α-methyl-γ-keto acid ester in the presence of a ruthenium complex having a specific structure and in the presence of a hydrogen donor to obtain wine lactone or a stereoisomer thereof or a mixture thereof.

  本发明涉及一种方法，包括：（A）在碱性条件下反应β-酮酯和2-卤代酯，以获得2-乙酰基-3-甲基琥珀酸酯；（B）在碱性条件下反应所得的2-乙酰基-3-甲基琥珀酸酯和甲基乙烯酮，随后可选择进行脱羧反应和水解等步骤，以获得α-甲基-γ-酮酸；（C）在还原剂的作用下还原所得的α-甲基-γ-酮酸，以获得酒内酯或其立体异构体或其混合物。另外，本发明还涉及一种方法，包括步骤（A）如上所述；（B）在碱性条件下反应所得的2-乙酰基-3-甲基琥珀酸酯和甲基乙烯酮，随后进行脱羧反应，以获得α-甲基-γ-酮酸酯；（E）在具有特定结构的铑配合物和氢供体的存在下还原所得的α-甲基-γ-酮酸酯，以获得酒内酯或其立体异构体或其混合物。
• Organic Bismuth Compound, Method for Producing Same, Living Radical Polymerization Initiator, Method for Producing Polymer Using Same, and Polymer
  申请人：Yamago Shigeru

  公开号：US20070265404A1

  公开（公告）日：2007-11-15

  An organobismuth compound represented by the formula (1) wherein R 1 and R 2 are C 1 -C 8 alkyl, aryl, substituted aryl or an aromatic heterocyclic group, R 3 and R 4 are each a hydrogen atom or C 1 -C 8 alkyl, and R 5 is aryl, substituted aryl, an aromatic heterocyclic group, acyl, amido, oxycarbonyl or cyano.

  一种有机铋化合物，其化学式为(1)，其中R1和R2为C1-C8烷基、芳基、取代芳基或芳香族杂环基，R3和R4分别为氢原子或C1-C8烷基，R5为芳基、取代芳基、芳香族杂环基、酰基、酰胺基、氧羰基或氰基。
• Method for treating osteoporosis
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0146921A2

  公开（公告）日：1985-07-03

  A compound of the formula wherein R1 is hydrogen or hydroxy, R2 and R3 are independently hydrogen or lower alkyl and Y is carboxyl or a group convertible to carboxyl is effective for prevention or treatment of osteoporosis.

  式中的化合物 其中 R1 为氢或羟基，R2 和 R3 独立地为氢或低级烷基，Y 为羧基或可转化为羧基的基团，可有效预防或治疗骨质疏松症。
• Benzopyran-4-on derivatives and their production
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0146922A2

  公开（公告）日：1985-07-03

  Novel benzopyran-4-on derivatives of the formula wherein R1 is hydrogen or hydroxy and R2 is lower alkyl and production theirof.

  式中 R1 为氢或羟基，R2 为低级烷基的新型苯并吡喃-4-on 衍生物及其制备方法。 其中 R1 为氢或羟基，R2 为低级烷基及其衍生物。