5,6-二氢-2-异丙稀基-4,4,6-三甲基-1,3(4H)-噁嗪 | 39575-65-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 甲亚胺酸及其衍生物
• 中文名称: 5,6-二氢-2-异丙稀基-4,4,6-三甲基-1,3(4H)-噁嗪
• 中文别名: 5,6-二氢-2-异丙苯基-4,4,6-三甲基-1,3(4H)-噁嗪
• 英文名称: 2-Isopropenyloxazin
• 英文别名: 2-Isopropenyl-4,4,6-trimethyl-5,6-dihydro-1,3-oxazin；2-isopropenyl-4,4,6-trimethyl-5,6-dihydro-4H-[1,3]oxazine；2-Isopropenyl-4,4,6-trimethyl-5,6-dihydro-4H-[1,3]oxazin；5,6-dihydro-4,4,6-trimethyl-2-(1-methylethenyl)-4H-1,3-oxazine；5,6-dihydro-4,4,6-trimethyl-2-(1-methylvinyl)-4H-1,3-oxazine；2-isopropenyl-4,4,6-trimethyl-5,6-dihydro-1,3-4H-oxazine；4,4,6-Trimethyl-2-(prop-1-en-2-yl)-5,6-dihydro-4h-1,3-oxazine；4,4,6-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine
• CAS: 39575-65-0
• 化学式: C₁₀H₁₇NO
• mdl: MFCD00006118
• 分子量: 167.251
• InChiKey: NXCYOVQRBLCDPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  21.6
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  3.2
• 危险品运输编号：
  UN 1993
• 海关编码：
  2934999090
• 包装等级：
  III
• 危险类别：
  3.2
• 安全说明：
  S23,S24/25

反应信息

• 作为反应物：
  描述：

  5,6-二氢-2-异丙稀基-4,4,6-三甲基-1,3(4H)-噁嗪 生成 4,4,6-trimethyl-2-prop-1-en-2-yl-1,3-oxazinane
  参考文献：
  名称：

  LIPSHUTZ, BRUCE H.;UNG, CHRISTOPHER;SENGUPTA, SAUMITRA, SYNLETT.,(1989) N, C. 64-66

  摘要：

  DOI：
• 作为产物：
  描述：

  2-甲基-2,4-戊二醇 、 甲基丙烯腈 在 硫酸 作用下， 生成 5,6-二氢-2-异丙稀基-4,4,6-三甲基-1,3(4H)-噁嗪
  参考文献：
  名称：

  2-Alkenyl-4,4,6-trimethyl-5,6-dihydro-1,3-oxazines

  摘要：

  DOI：

  10.1021/jo01087a613

文献信息

• Synthesis of aldehydes and products of such synthesis
  申请人：Board of Supervisors of Louisiana State University and Agricultural &

  公开号：US04131623A1

  公开（公告）日：1978-12-26

  The disclosure describes the production of complex aliphatic, unsaturated and cycloalkane aldehydes utilizing heterocyclic ring compounds, such as oxazines, particularly dihydro-1,3-oxazines. The oxazines are treated with an alkali metal-alkane compound, such as butyl lithium in the presence of an organic solvent at subzero temperature to form an anion of the oxazine. This anion is then alkylated in the anhydrous reaction mixture by introduction of a suitable halide, epoxide or ketone while still at a subzero temperature and mixture is permitted to warm up to room temperature, following which the reaction mixture is acidified, as with hydrochloric acid to pH 2 to 3, extracted and then made basic, as with caustic alkali with cooling. The reaction mixture is then extracted, as with ether, to produce after evaporation the alkylated dihydro-1,3-oxazine. The alkylated dihydro-1,3-oxazine is then reacted with an alkali metal or sodium borohydride or borodeuteride or borotritide, with cooling to subzero temperatures at about a neutral pH and then transferred into a basic aqueous environment following extraction of the aqueous layer with an organic solvent, such as ether, to give a tetrahydro-1,3-oxazine. This compound may then be converted to the aldehyde desired by steam distillation or by hydrolysis in the presence of a dilute or weak acid, such as hydrochloric or oxalic acid. The aldehydes may then be extracted. These aldehydes are useful as components or intermediates in flavoring or perfumes, in insect attractants and repellants, and in pharmaceuticals.

  该披露描述了利用杂环环化合物（如噁嗪，特别是二氢-1,3-噁嗪）生产复杂的脂肪族、不饱和和环烷烃醛。将噁嗪与碱金属-烷基化合物（如丁基锂）在有机溶剂存在下在零下温度下处理，形成噁嗪的负离子。然后在仍处于零下温度的无水反应混合物中通过引入适当的卤化物、环氧化物或酮基进行烷基化，然后允许混合物升温至室温，随后将反应混合物酸化，如用盐酸调至pH值为2至3，提取后再使其碱性化，如用碱性碱液并陪冷却。然后通过提取（如用醚）处理反应混合物，蒸发后得到烷基化的二氢-1,3-噁嗪。然后将烷基化的二氢-1,3-噁嗪与碱金属或硼氢化钠或硼氘化钠或硼三氚化钠反应，在中性pH值下在零下温度下进行冷却，然后在提取水层与有机溶剂（如醚）后转移到碱性水环境中，得到四氢-1,3-噁嗪。然后可以通过蒸馏或在稀释或弱酸（如盐酸或草酸）存在下水解将该化合物转化为所需的醛。然后可以提取这些醛。这些醛可用作香料或香水的成分或中间体，在昆虫引诱剂和驱避剂以及制药中有用。
• PHOTOCURABLE COMPOSITION
  申请人：Fukui Hiroji

  公开号：US20110097669A1

  公开（公告）日：2011-04-28

  The present invention provides a photocurable composition which contains a photobase generator capable of generating a satisfactory amount of a base in a high quantum yield when irradiated even with a small quantity of light for a short time, and contains a curable compound that is rapidly cured by the generated base such that the composition is cured into a cured product. The photocurable composition comprises: a photobase generator (A) which is a salt of a carboxylic acid (a1-1) represented by the following formula (1-1) with a basic compound (a2), and a curable compound (B) which has, in one molecule thereof, at least two functional groups selected from among epoxy group, (meth)acryloyl group, isocyanato group, acid anhydride group, and alkoxysilyl group, where R1 to R7 in the above formula (1-1) each are hydrogen or an organic group, R1 to R7 may be the same or different, and two of R1 to R7 may be bonded to each other to form a ring structure.

  本发明提供了一种光固化组合物，其包含一种光碱发生剂，当短时间内用少量光照射时，能够生成足量碱，并且具有高量子产率，同时含有一种可固化化合物，该化合物能够被生成的碱迅速固化，从而使组合物固化成为固化产物。该光固化组合物包括：光碱发生剂（A），其是由下式（1-1）所表示的羧酸盐（a1-1）与碱性化合物（a2）形成的，以及一种可固化化合物（B），该化合物在一个分子中具有至少两种官能团，所述官能团选自环氧基团、（甲基）丙烯酰基团、异氰酸酯基团、酸酐基团和烷氧基硅基团，其中上述式（1-1）中的R1至R7分别为氢或有机基团，R1至R7可以相同或不同，其中两个R1至R7可以相互连接形成环结构。
• Chemistry of dihydro-1,3-oxazines. XXI. 1,4-Addition of organometallics to 2-alkenyldihydro-1,3-oxazines. Synthesis of .alpha.-substituted aldehydes and ketones
  作者：A. I. Meyers、A. C. Kovelesky、A. F. Jurjevich

  DOI：10.1021/jo00952a005

  日期：1973.6
• Syntheses via dihydro-1,3-oxazines. VII. A simple synthesis of unsymmetrical ketones
  作者：Albert Irving Meyers、Albert C. Kovelesky

  DOI：10.1021/ja01049a041

  日期：1969.10
• Russell, Glen A.; Yao, Ching-Fa; Rajaratnam, Ragine, Journal of the American Chemical Society, 1991, vol. 113, # 1, p. 373 - 375
  作者：Russell, Glen A.、Yao, Ching-Fa、Rajaratnam, Ragine、Kim, Byeong Hyo

  DOI：——

  日期：——

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