2,4-二(异丙基)苯甲醛 | 68459-95-0

• 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: 2,4-二(异丙基)苯甲醛
• 英文名称: 2,4-diisopropyl-benzaldehyde
• 英文别名: 2,4-bis(isopropyl)benzaldehyde；Benzaldehyde, 2,4-bis(1-methylethyl)-；2,4-di(propan-2-yl)benzaldehyde
• CAS: 68459-95-0
• 化学式: C₁₃H₁₈O
• 分子量: 190.285
• InChiKey: BKKSNSNLVYSDPD-UHFFFAOYSA-N

物化性质

• LogP：
  3.813 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,4-二(异丙基)苯甲醛 在 alkaline aqueous potassium permanganate solution 作用下， 生成 2,4-二异丙基苯甲酸
  参考文献：
  名称：

  Gattermann-Koch反应；异丙苯在压力下的甲酰化。

  摘要：

  DOI：

  10.1021/ja01172a035
• 作为产物：
  描述：

  异丙苯 以3%的产率得到
  参考文献：
  名称：

  XAMAHAKA, CABAKO, GIEHN, 1985, N 43, 28-31

  摘要：

  DOI：

文献信息

• Process of manufacturing aldehydes and the products
  申请人：WINTHROP CHEM CO INC

  公开号：US01899340A1

  公开（公告）日：1933-02-28

  Substituted glycidic acid esters, of the formula <;FORM:0372013/IV/1>; where R1 is hydrogen or alkyl, R2 is a cyclic residue when R1 is hydrogen or any organic residue when R1 is alkyl, and X represents a saturated chain, are manufactured by condensing a halogen-acetic acid ester with a cyclic aldehyde or with a ketone in which the carbon atom of the oxo-group is bound to alkyl and to any organic residue or is a member of a saturated ring, by means of an alkali metal, an alkali metal amide or an alkali metal alcoholate, in a medium in which during the condensation process alkali metal halide does not separate on the condensing agent, viz. a liquid hydrocarbon or a liquid halogenated hydrocarbon. The products are converted into substituted acetaldehydes by saponifying with an alkali, acidifying the solution and steam distilling. In examples: (1) benzaldehyde is condensed with chloracetic acid ethyl ester by means of sodium in the presence of xylene yielding phenylglycidic acid ethyl ester, which is converted into phenylacetaldehyde; (2) 4-methoxybenzaldehyde is similarly treated; (3) 4-chlorobenzaldehyde is similarly converted into 4-chlorophenylglycidic acid ethyl ester and 4-chlorophenylacetaldehyde; (4) acetophenone is condensed with chloracetic acid ethyl ester by means of sodium amide in the presence of benzene or xylene, producing b -phenyl-b -methylglycidic acid ethyl ester, which is converted into 1-oxo-2-phenyl-2-methylethane (hydratropa aldehyde); (5) 2-oxo-6 : 10-dimethylundecane (hexahydropseudoionone) and chloracetic acid ethyl ester are condensed by means of sodium in xylene, yielding the corresponding glycidic ester, which is transformed into 1-oxo-2 : 6 : 10-trimethylundecane; (6) decahydro-2-oxonaphthalene (b -decalone) similarly yields the corresponding glycidic acid ester which is converted into decahydro-2-naphthaldehyde; (7) 1 : 1 : 3-trimethyl-2- (23 - oxobutyl)-cyclohexane (tetrahydroionone) is similarly condensed to produce the corresponding glycidic acid ester, which is converted into 1 : 1 : 3-trimethyl-2-(2<;4>; - oxo - 2<;3>; - methobutyl) - cyclohexane. The properties are also given of the substituted glycidic acid esters and substituted acetaldehydes obtained from: 4-methyl- and 4-ethyl-benzaldehyde, 2 : 4-dimethylbenzaldehyde, 4-isopropylbenzaldehyde, 4-(1<;1>;-methopropyl)-benzaldehyde (obtainable by the action of carbon monoxide on 2-phenylbutane in the presence of aluminium chloride), 2 : 4-diisopropylbenzaldehyde, 5 : 6 : 7 : 8-tetrahydro-1-naphthaldehyde (obtainable by the action of carbon monoxide on tetrahydronaphthalene in the presence of aluminium chloride); 2-oxodecane (methyloctylketone), 2-oxoundecane (methylnonylketone), 2-oxo-2-(p-isopropylphenyl)-ethane (p-isopropylacetophenone), 2-oxo-2-(p-methoxyphenyl)-ethane (methyl - p - methoxyphenylketone), 2 - oxo - 4-phenylbutane, 2 - oxo- 4 - (p-isopropylphenyl)-butane, and 1 : 1 : 3-trimethyl-2-(2<;3>;-oxopentyl)-cyclohexane (obtainable by hydrogenating the corresponding a -methylionone). Other starting materials specified are naphthaldehyde and furfural on the one hand and bromacetic acid esters on the other. Specifications 21047/04, [Class 2, Acids and salts, Organic &;c.], and 293,703, [Class 2 (iii), Dyes &;c.], are referred to.

  替代甘油酸酯，化学式为 <;FORM:0372013/IV/1>; 其中 R1 为氢或烷基，R2 在 R1 为氢时为环残基，在 R1 为烷基时为任何有机残基，X 代表饱和链，通过将卤代乙酸酯与环状醛或酮（其中羟基团的碳原子与烷基和任何有机残基结合，或者是饱和环的成员）与碱金属、碱金属酰胺或碱金属醇酸盐在不分离碱金属卤化物的介质中缩合而制造，该介质在缩合过程中不会使碱金属卤化物分离于缩合剂，即液态烃或液态卤代烃。 通过与碱水解、酸化溶液并蒸馏，将产品转化为替代乙醛。 例如：（1）苯甲醛与氯乙酸乙酯在二甲苯存在下通过钠缩合，生成苯基甘油酸乙酯，进而转化为苯乙醛；（2）4-甲氧基苯甲醛类似处理；（3）4-氯苯甲醛类似转化为4-氯苯基甘油酸乙酯和4-氯苯乙醛；（4）苯乙酮与氯乙酸乙酯在苯或二甲苯存在下通过钠酰胺缩合，产生 b -苯基-b -甲基甘油酸乙酯，进而转化为1-氧代-2-苯基-2-甲基乙烷（水合戊醛）；（5）2-氧代-6 : 10-二甲基十一烷（六氢伪离子酮）与氯乙酸乙酯在二甲苯中通过钠缩合，生成相应的甘油酸酯，转化为1-氧代-2 : 6 : 10-三甲基十一烷；（6）去氢-2-氧代萘烷（b -去氢基酮）类似产生相应的甘油酸酯，转化为去氢-2-萘甲醛；（7）1 : 1 : 3-三甲基-2-（23 - 氧代丁基）-环己烷（四氢伊酮）类似缩合以产生相应的甘油酸酯，转化为1 : 1 : 3-三甲基-2-(2<;4>; - 氧代 - 2<;3>; - 甲基丁基) - 环己烷。 还给出了从以下物质获得的替代甘油酸酯和替代乙醛的性质：4-甲基和4-乙基苯甲醛，2 : 4-二甲基苯甲醛，4-异丙基苯甲醛，4-(1<;1>;-甲基丙基)-苯甲醛（通过一氧化碳在氯化铝存在下作用于2-苯基丁烷获得），2 : 4-二异丙基苯甲醛，5 : 6 : 7 : 8-四氢-1-萘甲醛（通过一氧化碳在氯化铝存在下作用于四氢萘烷获得）；2-氧代癸烷（甲基辛酮），2-氧代十一烷（甲基壬酮），2-氧代-2-(对异丙基苯基)-乙烷（对异丙基苯乙酮），2-氧代-2-(对甲氧基苯基)-乙烷（甲基 - 对 - 甲氧基苯基酮），2 - 氧代 - 4-苯基丁烷，2 - 氧代- 4 - (对异丙基苯基)-丁烷，和1 : 1 : 3-三甲基-2-(2<;3>;-氧代戊基)-环己烷（通过氢化相应的 a -甲基伊酮获得）。 另一方面指定的起始材料是萘甲醛和糠醛，另一方面是溴乙酸酯。 参考规范 21047/04，[2类，酸和盐，有机等]，和 293,703，[2类（iii），染料等]。
• Novel symmetric substituted benzaldehyde alditol derivatives and compositions and articles containing same
  申请人：——

  公开号：US20020183423A1

  公开（公告）日：2002-12-05

  Plastic additives which are useful as nucleating agents and which are especially useful for improving the optical properties of polymeric materials are provided. More particularly, this invention relates to certain symmetric DBS compounds comprising specific pendant groups, such as C 3 -C 6 alkyl, C 1 -C 6 alkoxy, phenyl, and methylenedioxy (as the combination of two available sites on the pertinent ring system), as well as wherein the individual benzylidene ring systems may be indan or tetralin. Because of the required symmetrical configuration, the pendant groups on each ring system of the dibenzylidene sorbitol compound must be located at the same positions. Such compounds may be added to or incorporated within polymer compositions which may then be utilized within, as merely examples, food or cosmetic containers and packaging.

  提供可作为成核剂并特别用于改善聚合物材料光学性能的塑料添加剂。更具体地说，本发明涉及特定对称DBS化合物，包括特定的侧链基团，如C3-C6烷基，C1-C6烷氧基，苯基和亚甲二氧基（作为相关环系统上两个可用位置的组合），以及其中各个苯甙环系统可以是茚或四氢萘。由于所需的对称配置，二苯甘油醇化合物的每个苯亚甲基环系统上的侧链基团必须位于相同位置。这些化合物可以添加到或并入聚合物组合物中，然后可以用于食品或化妆品容器和包装等领域。
• Novel asymmetric substituted benzaldehyde alditol derivatives and compositions and articles containing same
  申请人：——

  公开号：US20030004238A1

  公开（公告）日：2003-01-02

  Plastic additives which are useful as nucleating agents and which are especially useful for improving the optical properties of polymeric materials are provided. More particularly, this invention relates to certain asymmetric DBS compounds comprising specific pendant groups, such as C 1 -C 6 alkyl, C 1 -C 6 alkoxy, phenyl, naphthyl, or substituted phenyl, or pendant groups combined to cyclic moities, such as cyclopentyl (and thus to form indan with the benzylidene), cyclohexyl (to form tetralin), and methylenedioxy (as the combination of two available sites on the pertinent ring system). Such compounds may be added to or incorporated within polymer compositions which may then be utilized within, as merely examples, food or cosmetic containers and packaging. These inventive asymmetric benzylidene sorbitol acetals are also useful as gelling agents for water and organic solvents, particularly those used in the preparation of antiperspirant gel sticks. Preferably one of the benzylidene moieties is 3,4-disubstituted, with most preferably methyl groups in the 3 and 4 positions.

  本发明提供了可用作成核剂的塑料添加剂，它们特别适用于改善聚合物材料的光学特性。更具体地说，本发明涉及某些不对称 DBS 化合物，这些化合物包含特定的悬垂基团，如 C 1 -C 6 烷基、C 1 -C 6 烷氧基、苯基、萘基或取代苯基，或与环状基团结合的悬垂基团，如环戊基（从而与亚苄基形成茚）、环己基（形成四氢呋喃）和亚甲基二氧基（作为相关环系统上两个可用位点的组合）。此类化合物可添加到聚合物组合物中或与聚合物组合物结合，然后可用于食品或化妆品容器和包装，这只是举例说明。这些本发明的不对称亚苄基山梨醇缩醛还可用作水和有机溶剂的胶凝剂，尤其是用于制备止汗凝胶棒的胶凝剂。其中一个亚苄基分子最好是 3,4-二取代的，在 3 和 4 位上最好是甲基。
• DE591452
  申请人：——

  公开号：——

  公开（公告）日：——
• Di-isopropyl carbonyl compounds
  申请人：WINTHROP CHEM CO INC

  公开号：US01776154A1

  公开（公告）日：1930-09-16