3-hydroxy-6-bromohexanoic acid | 126502-98-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 英文名称: 3-hydroxy-6-bromohexanoic acid
• 英文别名: 6-Bromo-3-hydroxyhexanoic acid
• CAS: 126502-98-5
• 化学式: C₆H₁₁BrO₃
• 分子量: 211.056
• InChiKey: PRMNZQRHYSTJDR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-hydroxy-6-bromohexanoic acid 在 重铬酸吡啶 、 硼烷四氢呋喃络合物 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 四氢呋喃-2-乙酸
  参考文献：
  名称：

  Intramolecular ring-opening reactions of 2-oxetanones leading to tetrahydrofuran ring formation: a Lewis-acid study

  摘要：

  DOI：

  10.1021/jo00297a002
• 作为产物：
  描述：

  4-(3-Benzyloxy-propyl)-oxetan-2-one 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 0.08h， 以62%的产率得到3-hydroxy-6-bromohexanoic acid
  参考文献：
  名称：

  Intramolecular ring-opening reactions of 2-oxetanones leading to tetrahydrofuran ring formation: a Lewis-acid study

  摘要：

  DOI：

  10.1021/jo00297a002

文献信息

• Novel polyhydroxyalkanoate containing unit phenylsulfanyl structure in the side cahin, process for its production, charge control agent, toner binder and toner which contain novel polyhydroxyalkanoate, and imageforming apparatus which make use of the toner
  申请人：CANON KABUSHIKI KAISHA

  公开号：EP1236755A2

  公开（公告）日：2002-09-04

  A polyhydroxyalkanoate is disclosed which has in the molecule a unit represented by Chemical Formula (1). wherein R is arbitrarily selected from a hydrogen atom, a halogen atom, CN, NO2, COOR', SO2R", CH3, C2H5, C3H7, C(CH3)2H and C(CH3)3; where R' is H, Na, K, CH3 or C2H5, and R" is OH, ONa, OK, a halogen atom, OCH3 or OC2H5; and x is an integer arbitrarily selected from 1 to 8; with the proviso that a polyhydroxyalkanoate is excluded which has a hydrogen atom as R and x in all the units is 2 or 4. Also disclosed is a process for producing the polyhydroxyalkanoate by the use of a microorganism having the ability to produce the polyhydroxyalkanoate and accumulate it in the bacterial body.

  本发明公开了一种聚羟基烷酸酯，其分子中具有化学式（1）所代表的单元。 其中 R 可任意选自氢原子、卤素原子、CN、NO2、COOR'、SO2R"、CH3、C2H5、C3H7、C(CH3)2H 和 C(CH3)3；其中 R'是 H、Na、K、CH3 或 C2H5，R "是 OH、ONa、OK、卤素原子、OCH3 或 OC2H5；x 是任意选自 1 至 8 的整数；但不包括以氢原子作为 R 且所有单元中 x 为 2 或 4 的聚羟基烷酸酯。本发明还公开了一种生产聚羟基烷酸的工艺，使用的微生物具有生产聚羟基烷酸并在细菌体内积累的能力。
• Polyhydroxyalkanoate having amide group and sulfonic group, method of producing the same, charge controlling agent containing the polyhydroxyalkanoate, toner binder, toner, and image formation method and image forming apparatus using the toner
  申请人：CANON KABUSHIKI KAISHA

  公开号：EP1336635A1

  公开（公告）日：2003-08-20

  A polyhydroxyalkanoate comprises a unit of formula (1): -(O-CH((CH2)mSASO2R)CH2C(=O))- wherein R is selected from the group consisting of OH, a halogen atom, ONa, OK, OCH3 and OC2H5; A represents a substituted or unsubstituted aliphatic hydrocarbon structure; m is an integer number selected from 1 to 8; and in the case where a plurality of units exist in the same molecule, R, A and m in one unit can be different from them in another unit respectively. A method of producing the polyhydroxyalkanoate comprises the step of reacting a polyhydroxyalkanoate comprising a unit of formula (18): -(O-CH((CH2)mBr)CH2C(=O))-, wherein m is an integer number selected from 1 to 8, and in the case where a plurality of units exist in the same molecule, m in one unit can be different from that in another unit, with at least one type of compounds of formula (19): HS-A1-SO2R15 wherein R15 is selected from the group consisting of OH, a halogen atom, ONa, OK, OCH3 and OC2H5 and A1 is a substituted or unsubstituted aliphatic hydrocarbon structure, and in the case where a plurality of types of compounds exist in the same molecule, R15 and A1 in one unit can be different from them in another unit respectively.

  聚羟基烷酸酯包括式(1)的单元：-(O-CH((CH2)mSASO2R)CH2C(＝O))-其中R选自由OH、卤素原子、ONa、OK、OCH3和OC2H5组成的组；A代表取代或未取代的脂族烃结构；m是选自1至8的整数；在同一分子中存在多个单元的情况下，一个单元中的R、A和m可以分别不同于另一个单元中的R、A和m。生产聚羟基烷酸酯的方法包括以下步骤：使包含式（18）单元的聚羟基烷酸酯反应：-(O-CH((CH2)mBr)CH2C(＝O))-，其中 m 是选自 1 至 8 的整数，在同一分子中存在多个单元的情况下，一个单元中的 m 可以不同于另一个单元中的 m：HS-A1-SO2R15，其中 R15 选自 OH、卤素原子、ONa、OK、OCH3 和 OC2H5 所组成的组，A1 是取代或未取代的脂族烃结构，在同一分子中存在多种类型化合物的情况下，一个单元中的 R15 和 A1 可以分别不同于另一个单元中的 R15 和 A1。
• Polyhydroxyalkanoate copolymer including unit having bromo group in side chain and method for producing the same
  申请人：CANON KABUSHIKI KAISHA

  公开号：EP1336634A2

  公开（公告）日：2003-08-20

  The invention provides polyhydroxyalkanoate having a bromo group in a unit and being thermally stable and capable of arbitrarily controlling physical properties, and a producing method thereof. According to the invention, there are provided a polyhydroxyalkanoate copolymer including a 3-hydroxy-ω-bromoalkanoic acid unit represented by a formula -[OCH((CH2)nBr)CH2C(O)]- (n=1 to 8) (1) and a unit represented by a formula - [OCH((CH2)mR)CH2C(O)]- (2) within a same molecule, and a method for producing a polyhydroxyalkanoate copolymer by microorganisms, utilizing a ω-bromoalkanoic acid represented by a formula Br(CH2)pCH2CH2COOH (p=1 to 8) (20) and a compound represented by a formula R(CH2)qCH2CH2COOH (21) as raw materials. (In the formulae, R designates a residue selected from the group consisting of a phenyl structure, a thienyl structure and a cyclohexyl structure. m and q are integers selected from 1 to 8 respectively, provided it may be 0 when R designates the cyclohexyl structure. n and p designate integers within the ranges in the formulae respectively. These respective residues and integers in one unit are independent of respective one in another unit.)

  本发明提供了一种在单元中含有溴基、热稳定性好且能任意控制物理性质的聚羟基烷酸酯及其生产方法。根据本发明，提供了一种聚羟基烷酸酯共聚物，该共聚物包括由式-[OCH((CH2)nBr)CH2C(O)]- (n=1至8) (1)表示的3-羟基-ω-溴代烷酸单元和由式-[OCH((CH2)mR)CH2C(O)]- (2)表示的单元在同一分子内、以及利用式 Br(CH2)pCH2CH2COOH (p=1 至 8)(20)代表的ω-溴烷酸和式 R(CH2)qCH2CH2COOH (21)代表的化合物作为原料，通过微生物生产聚羟基烷酸共聚物的方法。 (在式中，R 表示从苯基结构、噻吩基结构和环己基结构组成的组中选出的残基；m 和 q 分别为 1 至 8 中选出的整数，但当 R 表示环己基结构时，可为 0；n 和 p 分别为式中范围内的整数。一个单元中的这些残基和整数与另一个单元中的残基和整数无关。）
• METHOD FOR PREPARING POLYLACTATE AND COPOLYMER THEREOF USING A MUTANT MICROORGANISM WITH ENHANCED POLYLACTATE, AND THE COPOLYMER PRODUCING CAPABILITY THEREOF
  申请人：LG Chem, Ltd.

  公开号：EP2314638A2

  公开（公告）日：2011-04-27

  Provided is a method of preparing polylactate (PLA) or a copolymer thereof using a mutant microorganism in which a gene participating in a coenzyme A (CoA) donor- and lactate-producing pathway is genetically manipulated to increase the productivity of a CoA donor and lactate. Amounts of the CoA donor and the lactate are simultaneously increased in a microbial metabolic pathway to enable effective biosynthesis of PLA and a hydroxyalkanoate-lactate copolymer having a high content of lactate, which is industrially useful.

  本发明提供了一种利用突变微生物制备聚乳酸（PLA）或其共聚物的方法，在这种突变微生物中，参与辅酶A（CoA）供体和乳酸盐产生途径的基因受到遗传操作，以提高CoA供体和乳酸盐的产量。在微生物代谢途径中，CoA 供体和乳酸盐的数量同时增加，从而能够有效地生物合成聚乳酸和具有高乳酸盐含量的羟基烷酸-乳酸盐共聚物，这在工业上是有用的。
• PREPARATION METHOD OF LACTATE POLYMERS AND LACTATE COPOLYMERS USING POLYHYDROXYALKANOATE SYNTHASE MUTANTS
  申请人：LG Chem, Ltd.

  公开号：EP2471910A2

  公开（公告）日：2012-07-04

  Mutants of various polyhydroxyalkanoate (PHA) synthases capable of synthesizing a lactate polymer (PLA) and a lactate copolymer (PLA copolymer), and a method of preparing a lactate polymer and a lactate copolymer using the same are provided. More specifically, a mutant of polyhydroxyalkanoate synthase set forth in SEQ ID NO: 2, 4, 6, or 8, and a method of preparing lactate polymer and lactate copolymer using the mutant of synthase are provided. The polyhydroxyalkanoate synthase set forth in SEQ ID NO: 2, 4, 6, or 8 can have an activity of synthesizing a lactate polymer and a lactate copolymer by an amino acid sequence mutation affecting an activity of synthesizing a lactate polymer, and can produce a lactate polymer and a copolymer that have different features, respectively, by using the mutants of the synthase.

  本发明提供了能够合成乳酸聚合物（聚乳酸）和乳酸共聚物（聚乳酸共聚物）的各种聚羟基烷酸（PHA）合酶的突变体，以及使用这些突变体制备乳酸聚合物和乳酸共聚物的方法。更具体地说，提供了 SEQ ID NO:2、4、6 或 8 所述的聚羟基烷酸合酶突变体，以及使用该合酶突变体制备乳酸聚合物和乳酸共聚物的方法。SEQ ID NO:2、4、6 或 8 所述的聚羟基烷酸合酶可通过影响合成乳酸聚合物活性的氨基酸序列突变而具有合成乳酸聚合物和乳酸共聚物的活性，并可通过使用该合酶的突变体生产分别具有不同特征的乳酸聚合物和共聚物。