1-氯甲氧基-4-甲酰基苯 | 100944-88-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-氯甲氧基-4-甲酰基苯
• 英文名称: 1-chloromethoxy-4-formylbenzene
• 英文别名: p-anisoyl chloride；4-(Chloromethoxy)benzaldehyde
• CAS: 100944-88-5
• 化学式: C₈H₇ClO₂
• 分子量: 170.595
• InChiKey: ATVFTFRYVUURBO-UHFFFAOYSA-N

物化性质

• 沸点：
  296.4±20.0 °C(Predicted)
• 密度：
  1.249±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-氯甲氧基-4-甲酰基苯 在 potassium permanganate 、 四丁基溴化铵 、 甲基三辛基氯化铵 作用下， 以 二氯甲烷 、 水 、 甲苯 为溶剂， 反应 8.0h， 生成 5-Ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid 4-[2-(4-isobutyl-phenyl)-propionyloxymethoxycarbonyl]-phenoxymethyl ester
  参考文献：
  名称：

  Synthèse et activité biologique de prodrogues de l'acide oxolinique

  摘要：

  Antiseptic phenols, anti-inflammatory acids and polyethyleneglycol moieties have been attached by labile bonds to oxolinic acid giving pro-drugs with anti-bacterial activities. Some of them are more soluble in water, exhibit a more sustained action in the time and give higher plasma and tissue concentrations compared with the free drug.

  DOI：

  10.1016/0223-5234(91)90108-y
• 作为产物：
  描述：

  4-羟基苯甲醛钠盐 在 磺酰氯 、 sodium iodide 作用下， 以 乙二醇二甲醚 为溶剂， 生成 1-氯甲氧基-4-甲酰基苯
  参考文献：
  名称：

  Benneche, Tore; Strande, Per; Undheim, Kjell, Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1987, vol. 41, p. 448 - 454

  摘要：

  DOI：

文献信息

• Formation of Imidazolones by Ring Closure of α-Isocyanoamides: Exploring New Reactivities
  作者：Laurent Bischoff、Steven Frippiat、Claire Leterrier、Christine Baudequin、Christophe Hoarau

  DOI：10.1055/s-0040-1708015

  日期：2020.7

  Base-mediated ring closure of α,α-disubstituted α-isocyanoamides with further electrophilic trapping has previously been explored, but with limited applications. In this work, we wished to unravel the reactivities of these compounds and, in particular, to allow palladium-catalyzed coupling at the C2 position.

  先前已经探索了具有进一步亲电捕获的 α,α-二取代 α-异氰胺的碱基介导的闭环，但应用有限。在这项工作中，我们希望解开这些化合物的反应性，特别是在 C2 位置允许钯催化偶联。
• Pyrimidinone derivatives
  申请人：NYCOMED AS

  公开号：EP0160573A2

  公开（公告）日：1985-11-06

  Bisulphite adducts of compounds of formula (wherein R represents a group R2-CH-X-(CR4R5)nR3; R' represents a halogen atom or a trifluoromethyl group; R2 represents a hydrogen atom or a C1-4 alkyl, C1-4 alkanoyl or phenyl group; X represents an oxygen or a sulphur atom or a group , where R6 represents a formyl, C1-4 alkanoyl or C1-4 alkoxycarbonyl group; R3 represents a C6-10 carbocyclic aromatic group or a heterocyclic group containing a 5- or 6- membered unsaturated heterocyclic ring which ring contains one or more heteroatoms selected from 0, N and S and optionally carries a fused carbocyclic ring, which carbocyclic or heterocyclic group may carry one or more substituents selected from halogen atoms, C1-4 alkyl, C1-4 alkanoyl, C1-4 alkoxy, C1-4 alkoxycarbonyl, C1-4 alkylthio, hydroxyl, nitro, cyano and formyl groups, -NR7R8 groups (where R is a hydrogen atom or a C1-4 alkyl group, and RB is a hydrogen atom or a C1-4 alkyl, C1-4 alkanoyl or aroyl group) and C1-4 alkyl groups substituted by one or more hydroxy or -NR7R8 groups and halogen atoms; n is an integer having the value 0 or 1; and R4 and R5, which may be the same or different, each is a hydrogen atom or a C1-6 alkyl group) and salts of such adducts have metaphase arrest abilities and desirably good water solubilities and may be useful in combatting abnormal cell proliferation.

  式化合物的亚硫酸氢盐加合物 (其中 R 代表基团 R2-CH-X-(CR4R5)nR3； R' 代表卤素原子或三氟甲基； R2 代表氢原子或 C1-4 烷基、C1-4 烷酰基或苯基； X 代表氧原子、硫原子或基团。 其中 R6 代表甲酰基、C1-4 烷酰基或 C1-4 烷氧羰基； R3 代表 C6-10 碳环芳香基团或含有 5 或 6 成员不饱和杂环的杂环基团，该环含有一个或多个选自 0、N 和 S 的杂原子，并可选择带有一个融合碳环，该碳环或杂环基团可带有一个或多个选自卤素原子的取代基、C1-4烷基、C1-4烷酰基、C1-4烷氧基、C1-4烷氧羰基、C1-4烷硫基、羟基、硝基、氰基和甲酰基、-NR7R8基团（其中R为氢原子或C1-4烷基，RB为氢原子或C1-4烷基、C1-4烷酰基或甲酰基）以及被一个或多个羟基或-NR7R8基团和卤素原子取代的C1-4烷基； n 是数值为 0 或 1 的整数；以及 R4和R5，它们可以相同或不同，各自为氢原子或C1-6烷基）和这类加合物的盐具有移相抑制能力和理想的良好水溶性，可用于抑制异常细胞增殖。
• Novel Imidazol-1-ylmethyl Substituted 1,2,5,6-Tetrahydropyrrolo[3,2,1-<i>ij</i>]quinolin-4-ones as Potent and Selective CYP11B1 Inhibitors for the Treatment of Cushing’s Syndrome
  作者：Lina Yin、Simon Lucas、Frauke Maurer、Uli Kazmaier、Qingzhong Hu、Rolf W. Hartmann

  DOI：10.1021/jm3003872

  日期：2012.7.26

  CYP11B1 inhibition is a promising therapy for Cushing's syndrome. Starting from etomidate, references I and II, the title compounds were designed and synthesized. Cyclopropyl analogue 4 was identified as a CYP11B1 inhibitor more potent (IC50 = 2.2 nM) than leads and more selective (SF = 11) than I and metyrapone. Since it also showed potent inhibition of rat CYP11B1 and good selectivity over human CYP17 and CYP19, it is a promising candidate for further development.
• LOUBINOUX, B.;COLIN, J. L.;THOMAS, V., EUR. J. MED. CHEM., 26,(1991) N, C. 461-467
  作者：LOUBINOUX, B.、COLIN, J. L.、THOMAS, V.

  DOI：——

  日期：——
• BENNECHE, TORE;STRANDE, PER;UNDHEIM, KJELL, ACTA CHEM. SCAND., 41,(1987) N 6, 448-454
  作者：BENNECHE, TORE、STRANDE, PER、UNDHEIM, KJELL

  DOI：——

  日期：——