1,3,3-三甲基双环[2.2.1]庚烷-2-基丁酸酯 | 67845-31-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 1,3,3-三甲基双环[2.2.1]庚烷-2-基丁酸酯
• 英文名称: rac-endofenchyl butyrate
• 英文别名: butyric acid-(1,3,3-trimethyl-[2]norbornyl ester)；Buttersaeure-(1,3,3-trimethyl-[2]norbornylester)；1,3,3-Trimethyl-2-norbornyl butyrate；(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) butanoate
• CAS: 67845-31-2
• 化学式: C₁₄H₂₄O₂
• 分子量: 224.343
• InChiKey: CQNXIFHRYNSUGB-UHFFFAOYSA-N

物化性质

• 沸点：
  254.0±8.0 °C(Predicted)
• 密度：
  0.9554 g/cm3(Temp: 15 °C)
• LogP：
  4.535 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,3,3-三甲基双环[2.2.1]庚烷-2-基丁酸酯 在 水 、 esterase B from Burkholderia gladioli 作用下， 以 aq. phosphate buffer 为溶剂， 生成 α-fenchol 、 endofenchyl butyrate
  参考文献：
  名称：

  [EN] ENANTIOSELECTIVE HYDROLYSIS
  [FR] HYDROLYSE ÉNANTIOSÉLECTIVE

  摘要：

  The present invention relates to a method of hydrolysing bicyclic monoterpenes with an α/β-hydrolase-fold esterase being a carboxyl esterase comprising or consisting of an amino acid sequence with at least 80% identity to SEQ ID No. 1 or SEQ ID No. 4 and comprising a catalytic motif of Ser-X-X-Lys (SEQ ID No. 2), wherein X is any amino acid residue, or a catalytic motif of Ser- (Z)n-Glu- (Z)m-His (SEQ ID No. 5), wherein (Z)nand (Z) are a chain of amino acids of a length of 20 to 200 amino acids.

  公开号：

  WO2022171652A2
• 作为产物：
  描述：

  Fenchol 、 丁酰氯 在 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 以70 %的产率得到1,3,3-三甲基双环[2.2.1]庚烷-2-基丁酸酯
  参考文献：
  名称：

  [EN] ENANTIOSELECTIVE HYDROLYSIS
  [FR] HYDROLYSE ÉNANTIOSÉLECTIVE

  摘要：

  The present invention relates to a method of hydrolysing bicyclic monoterpenes with an α/β-hydrolase-fold esterase being a carboxyl esterase comprising or consisting of an amino acid sequence with at least 80% identity to SEQ ID No. 1 or SEQ ID No. 4 and comprising a catalytic motif of Ser-X-X-Lys (SEQ ID No. 2), wherein X is any amino acid residue, or a catalytic motif of Ser- (Z)n-Glu- (Z)m-His (SEQ ID No. 5), wherein (Z)nand (Z) are a chain of amino acids of a length of 20 to 200 amino acids.

  公开号：

  WO2022171652A2

文献信息

• CONSUMER PRODUCTS HAVING VARYING ODORS
  申请人：MEINE Georg

  公开号：US20080207481A1

  公开（公告）日：2008-08-28

  Conventional perfumed consumer products are characterized by a uniform odor throughout the entire product. Consumer products are described that comprise at least two differently smelling perfume oils which are not evenly distributed in the product in proportion to one another. This allows the consumer to produce, using one and the same product, a variety of odors during applications and overcome the monotony of the olfactory experience associated with conventional perfumed consumer products.
• CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS
  申请人：MEINE Georg

  公开号：US20080221003A1

  公开（公告）日：2008-09-11

  Consumer products having fragrance that can develop distinguishable odor patterns which are separately detectable. Scent dynamics allow the consumer with one and the same product to experience different scent experiences during a single application. The limited range and monotony of odor associated with the conventional perfumed consumer products is thereby completely broken.
• US5095155A
  申请人：——

  公开号：US5095155A

  公开（公告）日：1992-03-10
• [EN] ENANTIOSELECTIVE HYDROLYSIS<br/>[FR] HYDROLYSE ÉNANTIOSÉLECTIVE
  申请人：[en]TECHNISCHE UNIVERSITÄT GRAZ

  公开号：WO2022171652A2

  公开（公告）日：2022-08-18

  The present invention relates to a method of hydrolysing bicyclic monoterpenes with an α/β-hydrolase-fold esterase being a carboxyl esterase comprising or consisting of an amino acid sequence with at least 80% identity to SEQ ID No. 1 or SEQ ID No. 4 and comprising a catalytic motif of Ser-X-X-Lys (SEQ ID No. 2), wherein X is any amino acid residue, or a catalytic motif of Ser- (Z)n-Glu- (Z)m-His (SEQ ID No. 5), wherein (Z)nand (Z) are a chain of amino acids of a length of 20 to 200 amino acids.