2,2-dimethoxybut-3-ene | 72757-52-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2-dimethoxybut-3-ene
• 英文别名: 3,3-dimethoxy-but-1-ene；Methylvinylketon-dimethylacetal；3,3-Dimethoxy-but-1-en；3,3-dimethoxy-1-butene；3,3-Dimethoxybut-1-ene
• CAS: 72757-52-9
• 化学式: C₆H₁₂O₂
• 分子量: 116.16
• InChiKey: QGLWRYCBMDKTJD-UHFFFAOYSA-N

物化性质

• 沸点：
  98-100 °C
• 密度：
  0.8756 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,2-dimethoxybut-3-ene 在 儿萘酚硼烷 作用下， 以 苯 为溶剂， 以91%的产率得到3-methoxybut-1-ene
  参考文献：
  名称：

  烯丙基和炔丙基缩醛和缩酮的儿茶酚硼烷还原裂解：生成烯丙基和 2-炔基醚的简单途径

  摘要：

  摘要描述了烯丙基和丙-2-炔基缩醛以及缩酮通过儿茶酚硼烷还原裂解成相应的烯丙基和丙-2-炔基醚的化学选择性转化。

  DOI：

  10.1080/00397919108019775
• 作为产物：
  描述：

  1,3-dimethoxy-but-2-ene 在 氢氧化钾 、 potassium hydrogensulfate 、 对甲苯磺酸 作用下， 生成 2,2-dimethoxybut-3-ene
  参考文献：
  名称：

  Norris; Verbanc; Hennion, Journal of the American Chemical Society, 1938, vol. 60, p. 1160

  摘要：

  DOI：

文献信息

• Improvement of a Stereoselective Biocatalytic Synthesis by Substrate and Enzyme Engineering: 2-Hydroxy-(4′-oxocyclohexyl)acetonitrile as the Model
  作者：Manuela Avi、Romana M. Wiedner、Herfried Griengl、Helmut Schwab

  DOI：10.1002/chem.200800609

  日期：——

  regard to substrate range, reaction scope, and insufficient selectivity with unnatural compounds. These shortcomings can be challenged by enzyme and/or substrate engineering, which are employed to alter substrate specificity and enhance the enzyme selectivity toward unnatural substrates. Herein, these two approaches are coupled to improve the hydroxynitrile lyase catalyzed synthesis of 2-hydroxy-(4

  即使生物催化正得到越来越多的应用，它仍必须在合成化学中获得广泛的应用。这样做的原因是酶在底物范围，反应范围以及对非天然化合物的选择性不足方面具有局限性。这些缺点可以通过酶和/或底物工程来挑战，所述酶和/或底物工程被用来改变底物特异性并增强酶对非天然底物的选择性。在本文中，这两种方法相结合以改善羟腈裂合酶催化的2-羟基-（4'-氧代环己基）乙腈的合成（4）。酮官能团被屏蔽为烯醇醚，而巴西橡胶树的氧化腈酶则针对该被屏蔽的底物进行了工程改造，从而使该产品具有较高的光学纯度，并大大降低了所需的酶量。
• TAXANE COMPOUND WITH AZETIDINE RING STRUCTURE
  申请人：Daiichi Sankyo Company, Limited

  公开号：EP1942109A1

  公开（公告）日：2008-07-09

  A compound represented by the general formula (1) [X1 and X2 represent hydrogen atom, a halogen atom, hydroxyl group and the like, R1 represents a phenyl group, R2 represents an alkyl group, an alkenyl group, or an alkoxy group, R3 represents hydrogen atom, a halogen atom, hydroxyl group, or an alkoxy group, R4 represents hydrogen atom, or an alkyl group, Z1 and Z2 represent hydrogen atom, a halogen atom, hydroxyl group and the like, Z3 represents cyano group, an alkyl group, an alkenyl group and the like, Z4 represents an alkyl group, an alkenyl group, an alkynyl group and the like, and ---- represents a single bond or a double bond], which shows high antitumor effect against cancer cells including drug resistant cells.

  一个由通式（1）表示的化合物，其中[X1和X2代表氢原子，卤素原子，羟基等，R1代表苯基，R2代表烷基，烯基或烷氧基，R3代表氢原子，卤素原子，羟基或烷氧基，R4代表氢原子或烷基，Z1和Z2代表氢原子，卤素原子，羟基等，Z3代表氰基，烷基，烯基等，Z4代表烷基，烯基，炔基等，----代表单键或双键]，对包括药物耐药细胞在内的癌细胞表现出高抗肿瘤效果。
• Antioxidant chroman compounds
  申请人：Hoffman-La Roche Inc.

  公开号：US03947473A1

  公开（公告）日：1976-03-30

  The (6-hydroxy-chroman-2-yl) acetic or carboxylic acid derivatives useful as antioxidants and a method for preparing these derivatives from hydroquinones and intermediates in this synthesis as well as the use of these derivatives as intermediates in the preparation of optically active alpha-tocopherol.

  (6-羟基-2-色基)乙酸或羧酸衍生物可用作抗氧化剂，本发明提供了一种从对苯二酚和合成中间体制备这些衍生物的方法，以及在制备光学活性α-生育酚时使用这些衍生物作为中间体的用途。
• Taxane Compound Having Azetidine Ring Structure
  申请人：Uoto Kouichi

  公开号：US20090186868A1

  公开（公告）日：2009-07-23

  A compound represented by the general formula (1) [X 1 and X 2 represent hydrogen atom, a halogen atom, hydroxyl group and the like, R 1 represents a phenyl group, R 2 represents an alkyl group, an alkenyl group, or an alkoxy group, R 3 represents hydrogen atom, a halogen atom, hydroxyl group, or an alkoxy group, R 4 represents hydrogen atom, or an alkyl group, Z 1 and Z 2 represent hydrogen atom, a halogen atom, hydroxyl group and the like, Z 3 represents cyano group, an alkyl group, an alkenyl group and the like, Z 4 represents an alkyl group, an alkenyl group, an alkynyl group and the like, and represents a single bond or a double bond], which shows high antitumor effect against cancer cells including drug resistant cells.

  一种化合物由通式（1）表示 [其中X1和X2代表氢原子、卤素原子、羟基等，R1代表苯基，R2代表烷基、烯基或烷氧基，R3代表氢原子、卤素原子、羟基或烷氧基，R4代表氢原子或烷基，Z1和Z2代表氢原子、卤素原子、羟基等，Z3代表氰基、烷基、烯基等，Z4代表烷基、烯基、炔基等，且表示单键或双键]，对包括耐药细胞在内的癌细胞具有高抗肿瘤效果。
• Anti-aging agents for rubber vulcanizates based on organic compounds containing conjugated azadienes
  申请人：——

  公开号：US20040087722A1

  公开（公告）日：2004-05-06

  The present invention relates to anti-aging agents based on organic compounds containing conjugated azadiene groups, which are capable of providing rubber vulcanizates with long-term protection against thermal aging, fatigue and aging as a result of the effects of oxygen. The anti-aging agents according to the present invention are further characterized in that they are hardly ever extracted from the vulcanizates by water, oils and/or gasolines or hydraulic fluids.

  本发明涉及以含有共轭偶氮二烯基团的有机化合物为基础的抗老化剂，这种抗老化剂能够为橡胶硫化胶提供长期保护，防止热老化、疲劳和因氧气影响而老化。本发明所述抗老化剂的进一步特点是，它们几乎不会被水、油和/或汽油或液压油从硫化胶中提取出来。

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