2-羟基-3-甲基-5-硝基苯甲醛 | 68007-03-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-羟基-3-甲基-5-硝基苯甲醛
• 英文名称: 2-hydroxy-3-methyl-5-nitrobenzaldehyde
• 英文别名: 3-methyl-5-nitrosalicylaldehyde；2-hydroxy-3-methyl-5-nitro-benzaldehyde；2-Hydroxy-3-methyl-5-nitro-benzaldehyd；5-Nitro-2-hydroxy-3-methyl-benzaldehyd；5-Methyl-3-nitro-salicylaldehyd
• CAS: 68007-03-4
• 化学式: C₈H₇NO₄
• mdl: MFCD01040325
• 分子量: 181.148
• InChiKey: BENQWWGSDGYLAU-UHFFFAOYSA-N

物化性质

• 沸点：
  313.1±42.0 °C(Predicted)
• 密度：
  1.419±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  83.1
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2913000090

反应信息

• 作为反应物：
  描述：

  2-羟基-3-甲基-5-硝基苯甲醛 在 sodium hydride 作用下， 生成 Dimethyl-thiocarbamic acid S-(2-formyl-6-methyl-4-nitro-phenyl) ester
  参考文献：
  名称：

  PHOTOCHROMISM. SYNTHESIS AND PROPERTIES OF INDOLINOSPIROBENZOTHIOPYRANS

  摘要：

  新型光变色化合物，吲哚氮杂双噁烯，已制备并对其在聚合物薄膜中的性质进行了研究。其着色形式的吸收带在光谱的长波区域比常见的螺吡喃低约100纳米。

  DOI：

  10.1246/cl.1985.1805
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 硝酸 、 溶剂黄146 作用下， 生成 2-羟基-3-甲基-5-硝基苯甲醛
  参考文献：
  名称：

  Auwers; Bondy, Chemische Berichte, 1904, vol. 37, p. 3907

  摘要：

  DOI：

文献信息

• Benzoxazepinones and their use as squalene synthase inhibitors
  申请人：——

  公开号：US20030078251A1

  公开（公告）日：2003-04-24

  There is disclosed a compound represented by the formula [I]: 1 wherein R 1 is optionally substituted 1-carboxyethyl group, optionally substituted alkyl-sulfonyl group, optionally substituted (carboxy-cycloalkyl)-alkyl group, —X 1 —X 2 —Ar—X 3 —X 4 —COOH (wherein X 1 and X 4 are a bond or alkylene group, X 2 and X 3 are a bond, —O—, —S—, Ar is divalent aromatic group etc.), R 2 is alkyl group optionally substituted with alkanoyloxy group and/or hydroxy group, R 3 is alkyl group, and W is halogen atom, etc., or a salt thereof. The compound has the cholesterol lowering activity and the triglyceride lowering activity and is useful for preventing and/or treating hyperlipidemia.

  披露了一种由公式[I]表示的化合物： 1 其中R 1 是可选地取代的1-羧乙基，可选地取代的烷基亚磺酰基，可选地取代的(羧基环烷基)-烷基，—X 1 —X 2 —Ar—X 3 —X 4 —COOH(其中X 1 和X 4 是键或亚烷基，X 2 和X 3 是键，—O—，—S—，Ar是二价芳香族等)，R 2 是可选地由酰氧基和/或羟基取代的烷基，R 3 是烷基，W是卤素原子等，或其盐。该化合物具有降低胆固醇活性和降低甘油三酯活性，用于预防或治疗高脂血症。
• Chiral (1,2)-Diphenylethylene-Salen Complexes of Triel Metals: Coordination Patterns and Mechanistic Considerations in the Isoselective ROP of Lactide
  作者：Nicolas Maudoux、Thierry Roisnel、Vincent Dorcet、Jean-François Carpentier、Yann Sarazin

  DOI：10.1002/chem.201304788

  日期：2014.5.12

  All these alkyl complexes, as well as the [AlOiPr(ONNO)] derivatives, catalyse the ring‐opening polymerisation (ROP) of racemic lactide (rac‐LA). The [AlMe(ONNO)] complexes require additional alcohol to afford controlled reactions, but [AlOiPr(ONNO)] complexes are single‐component catalysts for the isoselective ROP of rac‐LA, with values of Pm in the range 0.80–0.90. Experimental evidence unexpectedly

  手性（R，R）-（HH ONNO HH）（1），（R，R）-（MeH ONNO HMe）（2），（R，R）-支持的对映体纯铝，镓和铟配合物的合成（吨卜吨卜ONNO吨卜吨卜）（3），（[R ，- [R ）- （MeNO2 ONNO MeNO2）（4），（- [R ，- [R） - （HOMe来ONNO HOMe来）（5）和（- [R ，- [R ） - （CLCL ONNO CLCL）（6）（1,2）-diphenylethylene沙仑配体进行说明。这些配合物中的几种已经通过晶体学鉴定，这突出了配位模式的多样性。而所有Ga络合物均形成[Ga 2（CH 2 SiMe 3）4（ONNO）]双金属物质（ONNO = 1 – 3），铝[AlR（ONNO）]（R = Me，CH 2 SiMe 3）和铟[In （CH 2 SiMe 3）（ONNO）]衍生物是单金属为ONNO = 1，2和4 - 6，并且仅形成所述双金属配合物[铝2
• Preparation and reactivities of chiral manganese(III) and copper(II) complexes of binaphthyl Schiff bases
  作者：Chun-Wah Ho、Wing-Chi Cheng、Ming-Chuan Cheng、Shie-Ming Peng、Kin-Fai Cheng、Chi-Ming Che

  DOI：10.1039/dt9960000405

  日期：——

  A series of chiral Schiff bases, 2,2′-bis(3-R1-5-R2-2-hydroxybenzylideneamino)-1,1′-binaphthyl H2L (R2= Cl, R1= Cl, Me, Et or NO2; R2= Me, R1= But; R2= NO2, R1= H, Me, Et, Pri, But or Cl), and their complexes [CuL1]1 and [Mn2L12(OMe)2]2(R1= R2= Cl) have been prepared. The crystal structure of the racemic form of 1 has been determined. Complex 1 is an active catalyst for the oxidation of alkenes by tert-butyl hydroperoxide. On the contrary, 2 is inert towards alkene epoxidation by PhIO. However, upon mixing Mn(O2CMe)3·xH2O and H2L in acetonitrile a green solution was obtained which could effect asymmetric epoxidation of alkenes by PhIO. The effects of the steric and electronic effects of the R1 and R2 substituents, temperature, and the addition of donors like N-methyl- and 2-methyl-imidazole and pyridine N-oxide on the catalytic activity of the MnIII+(S)-H2L systems towards alkene epoxidation have been investigated. When R1= Et and R2= NO2 the best enantiomeric excesses of 58 and 43% were found for epoxidation of cis-β-methylstyrene to (1S,2R)-cis-β-methylstyrene oxide and 4-chlorostyrene to 4-(S)-chlorostyrene oxide respectively.

  一系列手性席夫碱，2,2'-双（3-R1-5-R2-2-羟基亚苄胺基）-1,1'-联萘H2L（R2=Cl，R1=Cl、Me、Et或NO2；R2=Me，R1=But；R2= ，R1=H、Me、Et、Pri、But或Cl）及其配合物[CuL1]1和[Mn2L12(OMe)2]2（R1=R2=Cl）已被制备。1的外消旋形式的晶体结构已被确定。配合物1是叔丁基过氧化氢氧化烯烃的活性催化剂。相反，2对PhIO引发的烯烃环氧化是无活性的。然而，将Mn(O2CMe)3·xH2O和H2L混合在乙腈中，获得了一种绿色溶液，这种溶液可以催化PhIO引发的对烯烃的不对称环氧化。已经研究了R1和R2取代基的立体和电子效应对MnIII+(S)-H2L体系催化烯烃环氧化的影响，以及温度和加入供体如N-甲基-和2-甲基咪唑以及吡啶N-氧化物的影响。当R1=Et和R2= 时，烯烃环氧化过程得到了最好的对映体过剩，分别为：将顺-β-甲基苯乙烯环氧化成(1S,2R)-顺-β-甲基苯乙烯氧化物，对映体过剩为58%；将4-氯苯乙烯环氧化成4-(S)-氯苯乙烯氧化物，对映体过剩为43%。
• Highly Active Multidentate Catalysts for Efficient Alkyne Metathesis
  申请人：THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE

  公开号：US20130261295A1

  公开（公告）日：2013-10-03

  The invention relates to highly active and selective catalysts for alkyne metathesis. In one aspect, the invention includes a multidentate organic ligand wherein one substrate-binding site of the metal center is blocked. In another aspect, the invention includes N-quaternized or silane-based multidentate organic ligands, capable of binding to metals. In yet another aspect, the invention includes N-quaternized or silane-based multidentate catalysts. The catalysts of the invention show high robustness, strong resistance to small alkyne polymerization and significantly enhanced catalytic activity compared to their corresponding non-quaternized or non-silane-based multidentate catalyst analogues.

  该发明涉及用于炔烃交换反应的高活性和选择性催化剂。在一个方面，该发明包括一种多齿有机配体，其中金属中心的一个底物结合位点被阻塞。在另一个方面，该发明包括N-季铵化或硅基多齿有机配体，能够与金属结合。在另一个方面，该发明包括N-季铵化或硅基多齿催化剂。该发明的催化剂表现出高稳定性，对小炔烃聚合具有很强的抵抗力，并且与其对应的非季铵化或非硅基多齿催化剂类似物相比，具有显着增强的催化活性。
• SNAr azidation of phenolic functions utilizing diphenyl phosphorazidate
  作者：Kotaro Ishihara、Takayuki Shioiri、Masato Matsugi

  DOI：10.1016/j.tetlet.2019.151493

  日期：2020.2

  A useful method for the synthesis of aryl azides via SNAr reaction of phenol derivatives using diphenyl phosphorazidate (DPPA) as an azidation reagent was developed. Various phenol derivatives bearing electron-withdrawing groups were converted into the corresponding aryl azides in a single step. This method is easy to perform and enables the preparation of aryl azides without the use of explosive azide

  开发了一种有用的方法，该方法通过使用叠氮磷酸二苯酯（DPPA）作为叠氮化试剂通过苯酚衍生物的SNAr反应进行芳基叠氮化物的合成。带有吸电子基团的各种酚衍生物可在一个步骤中转化为相应的芳基叠氮化物。该方法易于实施，并且能够在不使用爆炸性叠氮化物源的情况下制备芳基叠氮化物。