(S)-ethyl 2-bromoisovalerate | 609-12-1

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (S)-ethyl 2-bromoisovalerate
• 英文别名: ethyl (S)-2-bromo-3-methylbutyrate；ethyl (2S)-2-bromanyl-3-methyl-butanoate；ethyl (2S)-2-bromo-3-methylbutanoate
• CAS: 609-12-1；84984-05-4；106819-30-1
• 化学式: C₇H₁₃BrO₂
• 分子量: 209.083
• InChiKey: WNFUWONOILPKNX-LURJTMIESA-N

物化性质

• 沸点：
  77 °C (12 mmHg)
• 密度：
  1,276 g/cm3
• 闪点：
  65 °C
• 溶解度：
  氯仿（微溶）、乙酸乙酯（微溶）、己烷（微溶）

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• TSCA：
  Yes
• 危险等级：
  8
• 危险品标志：
  C
• 安全说明：
  S24/25
• 危险类别码：
  R36/37/38
• 海关编码：
  2915900090
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P501,P210,P234,P264,P280,P370+P378,P390,P303+P361+P353,P301+P330+P331,P363,P304+P340+P310,P305+P351+P338+P310,P403+P235,P406,P405
• 危险品运输编号：
  3265
• 危险性描述：
  H314,H227,H290

制备方法与用途

用途：用于制作农药和医药中间体。

反应信息

• 作为反应物：
  描述：

  (S)-ethyl 2-bromoisovalerate 、 Sodium (E)acetophenone oximate 生成 ethyl (2R)-3-methyl-2-[(E)-1-phenylethylideneamino]oxybutanoate
  参考文献：
  名称：

  ITSUNO, SHINICHI;TANAKA, KAZUO;ITO, KOICHI, CHEM. LETT., 1986, N 7, 1133-1136

  摘要：

  DOI：
• 作为产物：
  描述：

  2-溴代异戊酸乙酯 生成 (S)-ethyl 2-bromoisovalerate 、 (R)-ethyl 2-bromoisovalerate
  参考文献：
  名称：

  Schleuder; Duerrbeck; Jira, Pharmazie, 1998, vol. 53, # 6, p. 381 - 386

  摘要：

  DOI：

文献信息

• Asymmetric Reduction of Chiral Acetophenone Oxime Ethers to Optically Active Primary Amines
  作者：Shinichi Itsuno、Kazuo Tanaka、Koichi Ito

  DOI：10.1246/cl.1986.1133

  日期：1986.7.5

  were synthesized from Na salt of acetophenone oxime and chiral halides, tosylates, or N-tosylaziridines which were derived from β-pinene or α-amino acids. Asymmetric reduction of the chiral oxime ether with LiAlH4 or BH3·THF gave the optically active primary amine.

  手性肟醚由苯乙酮肟的钠盐和衍生自 β-蒎烯或 α-氨基酸的手性卤化物、甲苯磺酸盐或 N-甲苯磺酰氮丙啶合成。用 LiAlH4 或 BH3·THF 不对称还原手性肟醚得到旋光伯胺。
• Carbazole derivative, solvate thereof, or pharmaceutically acceptable salt thereof
  申请人：Murata Masakazu

  公开号：US20100286210A1

  公开（公告）日：2010-11-11

  An object of the present invention is to provide novel carbazole derivatives, solvates thereof, or pharmaceutically acceptable salts thereof having an excellent adipose tissue weight reducing effect, hypoglycemic effect, and hypolipidemic effect, which are useful as a preventive and/or therapeutic agent for fatty liver, obesity, lipid metabolism abnormality, visceral adiposity, diabetes, hyperlipemia, impaired glucose tolerance, hypertension, non-alcoholic fatty liver disease, non-alcoholic steatohepatitis, and the like. The above-mentioned object can be achieved by carbazole derivatives, solvates thereof, or pharmaceutically acceptable salts thereof, wherein the carbazole derivatives are represented by the following general formula (I): (In the formula (I), the ring A represents phenyl group or the like; X represents —O— or the like; Y represents ═N— or the like; a and b represent methylene group or the like; both V and Z represent —O— or the like; W represents a C 1 -C 10 alkylene group whose 1 or 2 hydrogen atoms may be substituted by a phenyl group or a C 1 -C 6 alkyl group; 1,2-phenylene group; 1,3-cyclohexyl group; or the like; R 1 represents methyl group or the like; R 2 represents methoxy group or the like; and R 3 represents carboxy group or the like.)

  本发明的目的是提供新型的咔唑衍生物、其溶剂化物或药学上可接受的盐，具有优异的减轻脂肪组织重量、降血糖和降血脂作用，可用作预防和/或治疗脂肪肝、肥胖症、脂质代谢异常、内脏脂肪、糖尿病、高脂血症、糖耐量受损、高血压、非酒精性脂肪肝病、非酒精性脂肪性肝炎等的药物。上述目的可以通过咔唑衍生物、其溶剂化物或药学上可接受的盐来实现，其中咔唑衍生物由下式(I)表示：（在式(I)中，环A表示苯基或类似物；X表示-O-或类似物；Y表示═N-或类似物；a和b表示甲基烷基或类似物；V和Z都表示-O-或类似物；W表示C1-C10烷基，其1或2个氢原子可被苯基或C1-C6烷基取代；1,2-苯基烷基；1,3-环己基烷基或类似物；R1表示甲基或类似物；R2表示甲氧基或类似物；R3表示羧基或类似物。）
• A facile one-pot synthesis of Nα-Z/Boc-protected S-linked 1,3,4-oxadiazole tethered peptidomimetics
  作者：Vommina V. Sureshbabu、B. Vasantha、G. Nagendra

  DOI：10.1016/j.tetlet.2011.12.093

  日期：2012.3

  A new class of S-linked 1,3,4-oxadiazole-tethered N-alpha-protected peptidomimetics is designed and synthesized by a reaction of N-alpha-Z/Boc-protected 1,3,4-oxadiazole-2-thiol with alpha-bromo ester derived from amino acid. The protocol has also been employed for the synthesis of glycosylated amino acids and N,N'-orthogonally protected dipeptidomimetics bearing S-linked 1,3,4-oxadiazole mimetics as well. The intermediate 5-alkyl amino-1,3,4-oxadiazole-2-thiols have been isolated as stable compounds. Further, the chain extension at both N- and C-termini of N-protected S-linked 1,3,4-oxadiazole tethered dipeptidomimetics was also demonstrated. (C) 2012 Elsevier Ltd. All rights reserved.
• CARBAZOLE DERIVATIVE, SOLVATE THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF
  申请人：ZERIA PHARMACEUTICAL CO., LTD.

  公开号：EP1852433B1

  公开（公告）日：2011-11-23
• US8329913B2
  申请人：——

  公开号：US8329913B2

  公开（公告）日：2012-12-11