甲酸-Alpha,Alpha-二甲基苯乙酯 | 10058-43-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 甲酸-Alpha,Alpha-二甲基苯乙酯
• 中文别名: 甲酸-α,α-二甲基苯乙酯；甲酸-Α,Α-二甲基苯乙酯；甲酸-&alpha
• 英文名称: 2-methyl-1-phenylpropan-2-yl formate
• 英文别名: alpha,alpha-Dimethylphenethyl formate；(2-methyl-1-phenylpropan-2-yl) formate
• CAS: 10058-43-2
• 化学式: C₁₁H₁₄O₂
• 分子量: 178.231
• InChiKey: CFSCYYFRHIBXMS-UHFFFAOYSA-N

物化性质

• 沸点：
  257.2±19.0 °C(Predicted)
• 密度：
  1.015±0.06 g/cm3(Predicted)
• LogP：
  2.66
• 物理描述：
  Colourless liquid; Dry, herbaceous, green, floral aroma
• 溶解度：
  Soluble in mineral oil, most fixed oils and propylene glycol; insoluble in water
• 折光率：
  1.494-1.502

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2915120000

反应信息

• 作为反应物：
  描述：

  甲酸-Alpha,Alpha-二甲基苯乙酯 、 六羰基铬 生成
  参考文献：
  名称：

  .pi.-Complexed .beta.-arylalkyl derivatives. II. Preparation and acetolysis of 2-[.pi.-(aryl)chromium tricarbonyl]-2-methyl-1-propyl methanesulfonates

  摘要：

  DOI：

  10.1021/ja00715a031
• 作为产物：
  描述：

  2,2-二甲基-3-苯丙醛 在 双(三甲基硅基)过氧化物 、 4 A molecular sieve 、 四氯化锡 、 1,2-二氨基环己烷 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 24.0h， 以45%的产率得到甲酸-Alpha,Alpha-二甲基苯乙酯
  参考文献：
  名称：

  A New and Selective Metal-Catalyzed Baeyer-Villiger Oxidation Procedure

  摘要：

  描述了一种新的、高度选择性和高产率的Baeyer-Villiger氧化过程，采用锡催化剂和双(三甲基硅基)过氧化物(BTP)。

  DOI：

  10.1055/s-1997-966

文献信息

• Silica-bonded N-propyl sulfamic acid as an efficient catalyst for the formylation and acetylation of alcohols and amines under heterogeneous conditions
  作者：Khodabakhsh Niknam、Dariush Saberi

  DOI：10.1016/j.tetlet.2009.06.140

  日期：2009.9

  chlorosulfonic acid in chloroform is described. This solid acid is employed as a new catalyst for the formylation of alcohols and amines with ethyl formate under mild and heterogeneous conditions at room temperature with good to excellent yields. Also, SBNPSA catalyzed acetylation of various alcohols and amines with acetic anhydride at room temperature.

  描述了一种简单有效的方法，该方法通过使3-氨基丙基二氧化硅（1）与氯磺酸在氯仿中反应来制备与硅键合的N-丙基氨基磺酸（SBNPSA）。该固体酸被用作新的催化剂，用于在室温和温和多相条件下，醇和胺与甲酸乙酯进行甲酰化反应，具有良好或优异的收率。同样，SBNPSA在室温下用乙酸酐催化各种醇和胺的乙酰化。
• p-Toluenesulfonyl chloride as a new and effective catalyst for acetylation and formylation of hydroxyl compounds under mild conditions
  作者：Ardeshir Khazaei、Amin Rostami、Fatemeh Mantashlo

  DOI：10.1016/j.cclet.2010.05.025

  日期：2010.12

  The catalytic application of p-toluenesulfonyl chloride for efficient acetylation of various types of alcohols and phenols with acetic anhydride in solvent-free conditions is reported. Also structurally diverse alcohols were formylated using formic acid based on the use of catalytic amount of p-toluenesulfonyl chloride under solvent-free condition. The reactions were carried out in short reaction time

  据报道，在无溶剂条件下，对甲苯磺酰氯催化应用乙酸酐有效地乙酰化各种类型的醇和酚。同样基于在无溶剂条件下催化量的对甲苯磺酰氯的使用，使用甲酸使结构上不同的醇甲酰化。反应在较短的反应时间内进行，并且在室温下以良好至极好的收率进行。
• BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF
  申请人：SENOMYX, INC.

  公开号：US20160376263A1

  公开（公告）日：2016-12-29

  The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.

  本发明涵盖已知用于改变苦味感知的化合物和组合物，以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种：冷却剂；无活性药物成分；活性药用成分；食品添加剂或食品；调味剂或调味增强剂；食品或饮料产品；苦味化合物；甜味剂；苦味剂；酸味调味剂；咸味调味剂；鲜味调味剂；植物或动物产品；已知用于宠物护理产品中的化合物；已知用于个人护理产品中的化合物；已知用于家用产品中的化合物；制药制剂；局部制剂；大麻衍生或与大麻相关的产品；已知用于口腔护理产品中的化合物；饮料；香味、香水或除臭剂；已知用于消费品中的化合物；硅化合物；磨料；表面活性剂；发热剂；吸烟物品；脂肪、油脂或乳化剂；和/或益生菌或补充剂。
• [EN] ENOL ETHER PROPERFUME<br/>[FR] PRO-PARFUM D'ÉNOLÉTHER
  申请人：FIRMENICH & CIE

  公开号：WO2019243501A1

  公开（公告）日：2019-12-26

  The present invention relates to compounds of formula (I) as properfume compounds. In particular, the present invention relates to a method to release a compound being a ketone or aldehyde of formula (II), a formate ester of formula (III) and/or an alcohol of formula (IV) by exposing the compound of formula (I) to an environment wherein it is oxidized. Moreover, the present invention relates to a perfuming composition and a perfume consumer product comprising at least one compound of formula (I).

  本发明涉及化合物的结构式(I)作为香料化合物。具体而言，本发明涉及一种释放结构式(I)化合物的方法，其中该化合物是结构式(II)的酮或醛、结构式(III)的甲酸酯和/或结构式(IV)的醇，通过将结构式(I)的化合物暴露在氧化环境中。此外，本发明涉及一种香水组合物和一种香水消费产品，其中包括至少一种结构式(I)的化合物。
• [EN] CARBOSTYRIL COMPOUND<br/>[FR] DÉRIVÉ DE CARBOSTYRILE
  申请人：OTSUKA PHARMA CO LTD

  公开号：WO2006035954A1

  公开（公告）日：2006-04-06

  The present invention provides a carbostyril compound represented by General Formula (1) or a salt thereof, wherein A is a direct bond, a lower alkylene group, or a lower alkylidene group; X is an oxygen atom or a sulfur atom; R4 and R5 each represent a hydrogen atom; the bond between the 3 and 4 positions of the carbostyril skeleton is a single bond or a double bond; R1 is a hydrogen atom, etc; R2 is a hydrogen atom, etc; and R3 is a hydrogen atom, etc. The carbostyril compound or salt thereof of the present invention induces the production of TFF, and thus is usable for the treatment and/or prevention of disorders such as alimentary tract diseases, oral diseases, upper respiratory tract diseases, respiratory tract diseases, eye diseases, cancers, and wounds.

  本发明提供了一种由通式（1）表示的羧基吲哚化合物或其盐，其中A是直链键、较低的烷基烯基或较低的烷基亚烯基；X是氧原子或硫原子；R4和R5分别表示氢原子；羧基吲哚骨架的3和4位置之间的键是单键或双键；R1是氢原子，等等；R2是氢原子，等等；R3是氢原子，等等。本发明的羧基吲哚化合物或其盐诱导TFF的产生，因此可用于治疗和/或预防消化道疾病、口腔疾病、上呼吸道疾病、呼吸道疾病、眼部疾病、癌症和伤口等疾病。