月桂酸2-萘酯 | 6343-73-3

• 物质功能分类: 化学试剂 - 有机试剂 - 双环化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 月桂酸2-萘酯
• 中文别名: 月桂酸-2-萘酯；2-萘基月桂酸酯
• 英文名称: 2-naphthyl dodecanoate
• 英文别名: Laurinsaeure-；lauric acid-[2]naphthyl ester；Laurinsaeure-[2]naphthylester；2-Lauroyloxy-naphthalin；Naphthyl-(2)-laurat；2-Naphthyl laurate；naphthalen-2-yl dodecanoate
• CAS: 6343-73-3
• 化学式: C₂₂H₃₀O₂
• mdl: MFCD00021608
• 分子量: 326.479
• InChiKey: CIGGUBXZFFSTTA-UHFFFAOYSA-N

物化性质

• 熔点：
  61 °C
• 沸点：
  447.6±14.0 °C(Predicted)
• 密度：
  1.000±0.06 g/cm3(Predicted)
• 溶解度：
  溶于甲苯中呈微浊

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  24
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 安全说明：
  S22,S24/25
• WGK Germany：
  3
• 海关编码：
  2915900090

制备方法与用途

制备方法

萘的酰氧基化在玻璃反应器中进行。反应器内配有温度计、机械搅拌器、Dean-Stark型收集器，以及带有回流冷凝器和气体及液体管。

向反应器中加入338摩尔月桂酸、10克（78摩尔）萘、0.17克（0.75毫摩尔）Pd(OAc)₂、0.22克（0.75毫摩尔）Sb(OAc)₃和0.17克（0.75毫摩尔）Cr(OAc)₃·H₂O（Pd/Sb/Cr-1:1:1）。然后加入10摩尔庚烷，连续搅拌反应混合物，并将反应温度维持在约170℃。同时以每分钟约50毫升的流速向反应液体中鼓泡通入氧气。

在此过程中会产生水，并通过共沸方式与庚烷持续分离除去。保持反应温度在170℃±2℃之间，在4小时内进行连续反应。期间产生约1.3摩尔的水。

反应4小时后，使用气相色谱（GLC）分析反应混合物，结果显示大约85%的萘以几乎定量的选择性（约100倍）转化为月桂酸2-萘酯辛酸盐（产率约为16.8克、66毫摩尔），仅生成少量二氧化碳（小于0.3克）。

反应信息

• 作为反应物：
  描述：

  月桂酸2-萘酯 在 三氯化铝 作用下， 生成 1-(2-hydroxy-[1]naphthyl)-dodecan-1-one
  参考文献：
  名称：

  Sen; Bhattacharji, Current Science, 1951, vol. 20, p. 132

  摘要：

  DOI：
• 作为产物：
  描述：

  月桂酰氯 、 2-萘酚 在 吡啶 作用下， 生成 月桂酸2-萘酯
  参考文献：
  名称：

  Nachlas; Seligman, Journal of Biological Chemistry, 1949, vol. 181, p. 343,347

  摘要：

  DOI：

文献信息

• Compositions containing esters of aromatic alkoxylated alcohols and fatty carboxylic acids
  申请人：——

  公开号：US20030161792A1

  公开（公告）日：2003-08-28

  A personal care or cosmetic product composition that includes from about 0.1% to about 99% of at least one ester of alkoxylated aromatic alcohol and fatty carboxylic acid, and from about 0.1% to 60% of at least one functional ingredient is provided. The functional ingredients in the composition may include active ingredients and additional ingredients. Especially suitable active ingredients are sunscreen active ingredients and antiperspirant active ingredients. Preferred compositions are sunscreen product formulations and antiperspirant products. In one preferred embodiment, the composition further includes at least one cyclomethicone compound present in the amount of from about 1% to 99% by weight of the composition. A method of improving the protection of human or animal skin or hair from radiation and a method of improving the protection of human or animal skin or hair from perspiration are also provided.

  提供一种个人护理或化妆品组合物，包括约0.1%至约99%的至少一种烷氧基芳香醇和脂肪羧酸酯，以及约0.1%至60%的至少一种功能性成分。组合物中的功能性成分可能包括活性成分和额外成分。特别适用的活性成分包括防晒活性成分和止汗活性成分。首选的组合物是防晒产品配方和止汗产品。在一个首选实施例中，该组合物还包括至少一种环硅烷化合物，其占组合物重量的约1%至99%。还提供了一种改善人类或动物皮肤或毛发免受辐射的保护的方法，以及一种改善人类或动物皮肤或毛发免受汗水侵害的方法。
• METHOD FOR PRODUCING DIFLUORO ESTER COMPOUND
  申请人：Asahi Glass Company, Limited

  公开号：US20150175632A1

  公开（公告）日：2015-06-25

  To provide a method for producing a difluoro compound highly selectively in good yield without forming a hardly soluble by-product. An ester compound of the formula (1) is reacted and fluorinated with an electrophilic fluorinating agent in the presence of a basic compound and in the absence of a metal compound reactant to produce a difluoro ester compound of the formula (2). wherein R 1 is a C 1-30 alkyl group which may have a substituent, etc., and R 2 is a C 1-30 hydrocarbon group which may have a substituent, or R 1 and R 2 are bonded to form an alkylene group which forms, together with —C—C(O)—O—, a lactone ring.

  提供一种高选择性，高产率地生产二氟化合物的方法，同时避免产生难溶性副产物。通过在碱性化合物存在且金属化合物反应物不存在的情况下，使用式（1）的酯化合物与亲电氟化试剂反应和氟化，从而产生式（2）的二氟酯化合物。其中，R1是C1-30烷基，可以具有取代基等；R2是C1-30烃基，可以具有取代基，或者R1和R2结合形成一个与—C—C（O）—O—一起形成内酯环的亚烷基基团。
• Esters of aromatic alkoxylated alcohols and fatty carboxylic acids
  申请人：——

  公开号：US20030181744A1

  公开（公告）日：2003-09-25

  Esters of alkoxylated aromatic alcohol and fatty carboxylic acid are provided. The esters are especially suitable as additives for personal care and cosmetic products. The preferred esters having an aromatic nucleus, an alkoxy spacer, an ester carboxylic group, and a fatty alkyl group, in which the aromatic nucleus and the oxygen atom of the ester carboxylic group are connected to the alkoxy spacer, and the fatty alkyl group is attached to the carbon atom of the ester carboxylic group, are also provided. Certain of the esters of alkoxylated aromatic alcohol and fatty carboxylic acid having certain skin spread factor or viscosity are also provided.

  提供了烷氧基化芳香醇和脂肪羧酸的酯。这些酯特别适用于个人护理和化妆品产品的添加剂。优选酯具有芳香核、烷氧间隔、酯羧基和脂肪烷基，其中芳香核和酯羧基的氧原子连接到烷氧间隔，脂肪烷基附着在酯羧基的碳原子上。还提供了具有特定皮肤扩散因子或粘度的某些烷氧基化芳香醇和脂肪羧酸的酯。
• Pon polypeptides, polynucleotides encoding same and compositions and methods utilizing same
  申请人：YEDA RESEARCH AND DEVELOPMENT CO., LTD.

  公开号：EP2319857A2

  公开（公告）日：2011-05-11

  The present invention concerns an isolated polynucleotide comprising a nucleic acid sequence encoding a mutated PON enzyme exhibiting an increased substrate specificity to at least one known PON substrate as compared to a respective wild-type PON.

  本发明涉及一种分离的多核苷酸，该多核苷酸包含编码变异 PON 酶的核酸序列，与各自的野生型 PON 相比，变异 PON 酶对至少一种已知 PON 底物具有更强的底物特异性。
• METHOD FOR MANUFACTURING DIFLUORO ESTER COMPOUND
  申请人：Asahi Glass Company, Limited

  公开号：EP2913329A1

  公开（公告）日：2015-09-02

  To provide a method for producing a difluoro compound highly selectively in good yield without forming a hardly soluble by-product. An ester compound represented by the formula (1) is reacted and fluorinated with an electrophilic fluorinating agent in the presence of a basic compound and in the absence of a metal compound reactant to produce a difluoro ester compound represented by the formula (2). (R1 is a group selected from the group consisting of a C1-30 alkyl group which may have a substituent, a C3-30 cycloalkyl group which may have a substituent, a C4-30 cycloalkenyl group which may have a substituent (provided that the carbon atom adjacent to the carbon atom at the α-position of the carbonyl group forms no double bond), a C2-30 alkynyl group which may have a substituent, and a C8-30 cycloalkynyl group which may have a substituent, and R2 is a C1-30 hydrocarbon group which may have a substituent, or R1 and R2 are bonded to form an alkylene group which forms, together with -C-C(O)-O-, a lactone ring which has from 3 to 8 carbon atoms in the ring and which may have a substituent.).

  提供一种高选择性、高产率地生产二氟化合物而不产生难溶副产物的方法。 在有碱性化合物存在和没有金属化合物反应物的情况下，将式（1）表示的酯化合物与亲电氟化剂反应并氟化，生成式（2）表示的二氟化酯化合物。 (R1为选自以下组别的基团：C1-30烷基（可带有取代基）、C3-30环烷基（可带有取代基）、C4-30环烯基（可带有取代基）（条件是与羰基α位碳原子相邻的碳原子不形成双键）、C2-30炔基（可具有取代基）和C8-30环炔基（可具有取代基），R2为C1-30烃基（可具有取代基），或 R1和R2键合形成亚烷基，与-C-C(O)-O-一起形成内酯环（环上有3至8个碳原子，可具有取代基）。).