3-methylthiopropanal | 54261-38-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫代羰基化合物
• 英文名称: 3-methylthiopropanal
• 英文别名: thiobutyraldehyde；betamethylthiopropionaldehyde；Butanthial；butanethial
• CAS: 54261-38-0
• 化学式: C₄H₈S
• 分子量: 88.1735
• InChiKey: QYYAEQQRMTZUPJ-UHFFFAOYSA-N

物化性质

• 沸点：
  96.7±23.0 °C(Predicted)
• 密度：
  0.883±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  5
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  32.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  聚合甲醛 、 3-methylthiopropanal 在 二氧化碳 、 5,6,7,8-tetrahydro-3-[2,4,6-trimethylphenyl]-4H-cycloheptathiazolium chloride 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 甲苯 为溶剂， 以36%的产率得到4-(甲硫基)-2-氧代-1-丁醇
  参考文献：
  名称：

  [EN] PROCESS FOR PRODUCING ALPHA-HYDROXYKETONE COMPOUND
  [FR] PROCÉDÉ DE PRODUCTION DE COMPOSÉ ALPHA-HYDROXYCÉTONE

  摘要：

  本发明的一个目的是提供一种生产α-羟基酮化合物的新工艺。本发明涉及一种生产α-羟基酮化合物的工艺，包括将至少选择自芳香烃溶剂、脂肪烃溶剂、卤代烃溶剂和与水不相容的醚溶剂的疏水性溶剂，与化学式（1）所定义的化合物混合，其中，R1和R2各自独立地是氢原子、可选择取代的烷基团；R3是可选择取代的烷基团或芳基团；X-是阴离子、碱性化合物、甲醛和碳原子数为2到30的醛化合物。

  公开号：

  WO2013157651A1
• 作为产物：
  描述：

  Dimethyl-[1-[(2-nitrophenyl)disulfanyl]butyl]-phenylsilane 在 18-冠醚-6 、 cesium fluoride 作用下， 以 四氢呋喃 为溶剂， 生成 3-methylthiopropanal
  参考文献：
  名称：

  Generation of thioaldehydes via fluoride induced elimination of α-silyldisulfides

  摘要：

  DOI：

  10.1016/s0040-4039(00)98348-5

文献信息

• Urea-phosphorus compounds
  申请人：Monsanto Company

  公开号：US03965127A1

  公开（公告）日：1976-06-22

  The present invention relates to new cyclic organophosphorus esters having the following structures: ##EQU1## where R is aryl or chloroalkyl of 2 to 10 carbon atoms, R' is aryloxy or chloroalkyloxy of 2 to 10 carbon atoms, R" is hydrogen, alkyl, alkenyl, furanyl or aryl of 1 to 15 carbon atoms and substituted aryl forms where the substituent is fluorine, chlorine, bromine, cyano, hydroxyl, alkyloxy, alkylthio or mixtures of such substituents, and Y is O or S. The organophosphorus compounds have biological activity and are also useful as fire retardants, and as lead scavengers in gasoline.

  本发明涉及具有以下结构的新的环磷酸酯化合物：##EQU1## 其中，R是2至10个碳原子的芳基或氯代烷基，R'是2至10个碳原子的芳氧基或氯代烷氧基，R"是1至15个碳原子的氢、烷基、烯基、呋喃基或芳基，其中取代基为氟、氯、溴、氰、羟基、烷氧基、烷硫基或这些取代基的混合物，Y为O或S。这些有机磷化合物具有生物活性，也可用作阻燃剂和汽油铅清除剂。
• Cyclic organophosphorus amides
  申请人：Monsanto Company

  公开号：US03980618A1

  公开（公告）日：1976-09-14

  The present invention relates to new compounds containing urea and organophosphorus amide moieties in cyclic structures as shown in the following equation: ##EQU1## where R is aryl or chloroalkyl of 2 to 10 carbon atoms, R' is aryl of 6 to 10 carbon atoms, R" is hydrogen, alkyl, alkenyl, furanyl or aryl of 1 to 15 carbon atoms and substituted aryl forms where the substituent is fluorine, chlorine, bromine, cyano, hydroxyl, alkyloxy, alkylthio or mixtures of such substituents, and Y is O or S. The cyclic organophosphorus amides have biological activity and are also useful as fire retardants and as lead scavengers in gasoline.

  本发明涉及一种新的化合物，其中含有尿素和有机磷酰胺基团，其在循环结构中如下所示：##EQU1## 其中R为含有2至10个碳原子的芳基或氯代烷基，R'为含有6至10个碳原子的芳基，R"为氢、烷基、烯基、呋喃基或含有1至15个碳原子的芳基和取代芳基形式，其中取代基为氟、氯、溴、氰、羟基、烷氧基、烷硫基或这些取代基的混合物，Y为O或S。这些循环有机磷酰胺具有生物活性，并且在防火剂和汽油中作为铅清除剂也很有用。
• 4,5-Dimethyl-2-(2-methylthio)ethyl)-1,3-oxathiolane
  申请人：International Flavors & Fragrances Inc.

  公开号：US04515966A1

  公开（公告）日：1985-05-07

  Described is the genus of methyl(methylthioethyl)-1,3-dioxolanes and oxathiolanes defined according to the structure: ##STR1## wherein X and Y represent sulphur or oxygen with the proviso that at least one of X and Y is oxygen; wherein m is 0 or 1; and wherein R.sub.1 and R.sub.2 are the same or different and each represent hydrogen or methyl and uses of such methyl(methylthioethyl)-1,3-dioxolanes and oxathiolanes in augmenting or enhancing the aroma or taste of foodstuffs.

  本文介绍了一种以结构式为定义的甲基（甲硫基乙基）-1,3-二噁烷和噁硫烷的属，其中X和Y代表硫或氧，但至少有一个是氧；其中m为0或1；R1和R2相同或不同，分别代表氢或甲基。此外，还介绍了这种甲基（甲硫基乙基）-1,3-二噁烷和噁硫烷在增强或提高食品的香味或口感方面的用途。
• Making optically active alpha-hydroxy acids or precursors
  申请人：——

  公开号：US05324856A1

  公开（公告）日：1994-06-28

  Disclosed is a process for making an .alpha.-hydroxy acid which is essentially all L or all D with respect to the chiral C atom bonded to the carboxy group of said acid which comprises (1) hydrocarboxylating an enol acylate, which has a chiral C atom that is essentially all L or all D, with CO and water or an organic hydroxyl compound, thereby producing a reaction mixture containing diastereomeric .alpha.-acyloxy acids or esters having two chiral centers and having essentially no enantiomeric pairs, (2) separating the diastereomers by conventional physical means and (3) hydrolyzing at least one of said separated diastereomers to make at least the .alpha.-hydroxy acid which is essentially all L or all D with respect to the chiral C atom bonded to the carboxy group of said acid. Also disclosed is a process for making an .alpha.-hydroxy acid which is essentially all L or all D with respect to the chiral C atom bonded to the carboxy group of said acid which comprises (1) hydrocarboxylating an enol acylate, the enol portion of which has a chiral C atom that is essentially all L or all D, with CO and water or an organic hydroxyl compound, thereby producing a reaction mixture containing diastereomeric .alpha.-acyloxy acids or esters having two chiral centers and having essentially no enantiomeric pairs, (2) hydrolyzing the product of (1) to make a diastereomeric mixture containing .alpha.-hydroxy acids, and (3) separating by conventional physical means from the product of (2) at least one .alpha.-hydroxy acid which is essentially all L or all D with respect to the chiral C atom bonded to the carboxy group of said acid.

  本发明涉及一种制备基本上全部为L或全部为D的手性C原子与其羧基团结合的α-羟基酸的过程，包括：（1）将具有基本上全部为L或全部为D的手性C原子的烯醇酰化物与CO和水或有机羟基化合物进行羟羧化反应，从而产生含有二个手性中心且基本上没有对映异构体对的对映异构的α-酰氧基酸或酯的反应混合物，（2）通过传统物理方法分离对映异构体，以及（3）水解至少分离出其中的一个对映异构体，制备基本上全部为L或全部为D的手性C原子与其羧基团结合的α-羟基酸。本发明还涉及一种制备基本上全部为L或全部为D的手性C原子与其羧基团结合的α-羟基酸的过程，包括：（1）将具有基本上全部为L或全部为D的手性C原子的烯醇酰化物的烯醇部分与CO和水或有机羟基化合物进行羟羧化反应，从而产生含有二个手性中心且基本上没有对映异构体对的对映异构的α-酰氧基酸或酯的反应混合物，（2）水解（1）的产物以制备含有α-羟基酸的对映异构体混合物，以及（3）通过传统物理方法从（2）的产物中分离至少一种基本上全部为L或全部为D的手性C原子与其羧基团结合的α-羟基酸。
• DUBS P.; STUESSI R., HELV. CHIM. ACTA, 1978 61, NO 7, 2351-2359
  作者：DUBS P.、 STUESSI R.

  DOI：——

  日期：——