3-Hydroxybenzaldehyde, sodium salt | 38697-17-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-Hydroxybenzaldehyde, sodium salt
• 英文别名: sodium salt of meta-hydroxybenzaldehyde；sodium 3-formylphenolate；Sodium 3-formyl phenoxide；sodium;3-formylphenolate
• CAS: 38697-17-5
• 化学式: C₇H₅O₂*Na
• 分子量: 144.105
• InChiKey: WHRAMHWTLGRJHH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.42
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  40.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-Hydroxybenzaldehyde, sodium salt 在 二甲基二环氧乙烷 作用下， 生成 O,O-dimethyl O-(3-formyl)phenyl phosphate
  参考文献：
  名称：

  Unequivocal Identification of Compounds Formed in the Photodegradation of Fenitrothion in Water/Methanol and Proposal of Selected Transformation Pathways

  摘要：

  The photodegradation of fenitrothion was examined in a mixture of distilled water/methanol (5:1), The UV irradiation was carried out with a high-pressure Hg lamp during 7 h. For the identification of further breakdown products, fenitrooxon and carboxyfenitrothion were also irradiated under experimental conditions identical to those for fenitrothion. The identification of the breakdown products formed was carried out by gas chromatography-mass spectrometry (GC-MS) with electron impact (EI) and comparison with authentic standards synthesized in the laboratory. A total of 21 photoproducts of oxidation, isomerization, denitration, and solvolysis that may be of concern in environmental studies were unequivocally identified. Among them were formyldenitrofenitrothion, carbomethoxydenitro-fenitrooxon, and hydroxymethyldenitrofenitrooxon. A proposed mechanism of the process is presented. Selected pathways for the photodegradation of fenitrothion were examined: (i) degradation through hydrolysis, with eventual remethylation; (ii) P=S to P=O oxidation; (iii) denitration; and (iv) oxidation of the methyl substituent through hydroxymethyl and formyl to give the corresponding carboxy derivatives.

  DOI：

  10.1021/jf00039a044
• 作为产物：
  描述：

  间羟基苯甲醛 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 3-Hydroxybenzaldehyde, sodium salt
  参考文献：
  名称：

  An improved synthesis of m-diazirinophenol

  摘要：

  已发表的酚二氮烯合成表明，在次氯酸氧化过程中产生的产物被氯化，而期望的未氯化产物在通常的工作过程中丢失。描述了一种更优越的合成方法：在氧化步骤中加入吡啶可防止氯化；使用硅胶和反相高压液相色谱法可以高产率地分离所需的挥发性二氮烯。

  DOI：

  10.1139/v84-302

文献信息

• Substituted alkylamine derivatives
  申请人：Banyu Pharmaceutical Co., Ltd.

  公开号：US05234946A1

  公开（公告）日：1993-08-10

  The substituted alkylamine derivatives represented by formula (I) ##STR1## wherein R.sup.1 represents (a) substituted or unsubstituted C.sub.2-6 alkenyl group, (b) substituted or unsubstituted C.sub.3-6 cycloalkenyl group, (c) substituted or unsubstituted C.sub.2-6 alkynyl group, (d) substituted or unsubstituted aryl group, (e) substituted or unsubstituted heterocyclic group, (f) fused heterocyclic group which may be substituted, or (g) group represented by the formula Ru.sup.11 -Ar wherein R.sup.11 is a heterocyclic group and Ar is a 5- or 6-membered aromatic ring which may contain a hetero N, O or S atom, and which may be substituted; ##STR2## represents a 5- or 6-membered aromatic ring which may contain a hetero N, O or S atom, and may be substituted by R.sup.7, X and Y are linking groups, R.sup.2 is H or lower alkyl, R.sup.3 is hydrogen, lower alkyl, lower alkenyl, lower alkynyl or lower cycloalkyl, R.sup.4 and R.sup.5 are independently hydrogen or halogen atoms, R.sup.6 represents (a) substituted or unsubstituted acyclic hydrocarbon group which may be unsaturated, (b) substituted or unsubstituted cycloalkyl group, or (c) substituted or unsubstituted phenyl group, or non-toxic salts thereof. (E)-N-(6-6-dimethyl-2-hepten-4-ynyl)-N-ethyl-3-[4-(3-thienyl)-2-thienyl-me thyloxy]benzylamine hydrochloride is a representative example. The substituted alkylamine derivatives are useful as pharmaceuticals, particularly for the treatment and prevention of hypercholesterolemia, hyperlipemia and arteriosclerosis.

  根据您的要求，以下是公式(I)所代表的取代烷基胺衍生物的中文翻译： “式中，R1 代表（a）取代或未取代的C2-6烯基团，（b）取代或未取代的C3-6环烯基团，（c）取代或未取代的C2-6炔基团，（d）取代或未取代的芳基团，（e）取代或未取代的杂环团，（f）可能被取代的融合杂环团，或（g）由公式Ru11-Ar表示的团，其中R11是杂环团，Ar是5或6成员的芳香环，其中可能含有杂N、O或S原子，并且可能被取代；##STR2##代表一个5或6成员的芳香环，其中可能含有杂N、O或S原子，并且可能被R7、X和Y是连接基团，R2是H或低级烷基，R3是氢、低级烷基、低级烯基、低级炔基或低级环烷基，R4和R5是独立的是氢或卤素原子，R6代表（a）可能是不饱和的取代或未取代的链状烃基团，（b）取代或未取代的环烷基团，或（c）取代或未取代的苯基团，或其非毒性的盐。以下是一个代表性的例子：(E)-N-(6-6-二甲基-2-庚烯-4-炔基)-N-乙基-3-[4-(3-噻吩基)-2-噻吩基甲氧基]苄胺盐酸盐。这些取代烷基胺衍生物作为药物很有用，特别适用于治疗和预防高胆固醇血症、高脂血症和动脉粥样硬化。”
• Arachidonic acid analogues, processes for their preparation and their
  申请人：Beecham Group p.l.c.

  公开号：US04699995A1

  公开（公告）日：1987-10-13

  A compound of formula (I): ##STR1## or a salt thereof, in which Y is a group--O(CH.sub.2).sub.m CH<, --(CH.sub.2).sub.m CH<, or --CH.dbd.C< where m is an integer of from 1 to 5, n is an integer of from 4 to 12, each of R.sup.1 and R.sup.2, which may be the same or different, represents hydrogen or C.sub.1-6 alkyl, X represents a double or triple bond, and each of A and B represents hydrogen when X is a double bond, or both A and B are absent when X is a triple bond, is useful in treating allergic diseases.

  一种具有以下式（I）的化合物：##STR1## 或其盐，其中Y是一个基团--O(CH₂)ₘCH<, --(CH₂)ₘCH<, 或 --CH=CH<，其中m是1到5的整数，n是4到12的整数，R^1和R^2中的每一个，可以相同也可以不同，代表氢或C₁-₆烷基，X代表双键或三键，A和B中的每一个在X为双键时代表氢，或者当X为三键时A和B都不存在，对治疗过敏性疾病有用。
• Novel compounds
  申请人：Beecham Group p.l.c.

  公开号：US04713486A1

  公开（公告）日：1987-12-15

  A compound of formula (I): ##STR1## or a salt, ester or amide thereof, in which Y is a group --O(CH.sub.2).sub.m --, --(CH.sub.2).sub.m -- or --CH.dbd.CH-- where m is an integer of from 1 to 5 n is an integer of from 4 to 14 X represents a double or triple bond, and each of A and B represents hydrogen when X is a double bond, or both A and B are absent when X is a triple bond, is useful in the treatment of allergic diseases.

  化合物的公式（I）：##STR1## 或其盐、酯或酰胺，其中Y是一个基团--O(CH.sub.2).sub.m --，--(CH.sub.2).sub.m --或--CH.dbd.CH--其中m是从1到5的整数，n是从4到14的整数，X代表双键或三键，当X是双键时，每个A和B代表氢，或当X是三键时，A和B都不存在，可用于治疗过敏性疾病。
• Neue 4-Chinolinol- und 5,6,7,8-Tetrahydro-4-chinolinol-abkömmlinge mit biozider Wirkung
  作者：Horst Gildemeister、Harald Knorr、Hilman Mildenberger、Gerhard Salbeck

  DOI：10.1002/jlac.198219820908

  日期：1982.9.17

  Es wird die Synthese einiger O-substituierter 4-Chinolinole und 5,6,7,8-Tetrahydro-4-chinolinole 7–13 beschrieben. Ausgehend von 2 und 4 gelangt man mit POCl3 zu 4-Chlorchinolinen 14 und 15, welche in die 4-Aryloxychinoline 16 und 17 sowie 4-Alkyl-(Aryl-)thiochinoline 20 bzw. 4-Aminochinoline 21 übergeführt werden.

  描述了一些O-取代的4-喹啉醇和5,6,7,8-四氢-4-喹啉醇7-13的合成。从2和4开始，POCl 3产生4-氯喹啉14和15，它们分别被转化为4-芳氧基喹啉16和17和4-烷基（芳基）硫代喹啉20和4-氨基喹啉21。
• Kinetics and Mechanism of Alkaline Hydrolysis of Y-Substituted Phenyl Phenyl Carbonates
  作者：Song-I Kim、So-Jeong Hwang、Eun-Mi Jung、Ik-Hwan Um

  DOI：10.5012/bkcs.2010.31.7.2015

  日期：2010.7.20

  Summary of second-order rate constants for reactions of Y-substituted phenyl benzoates ( 1a-j ) and Y-substituted phenyl phe-nyl carbonates ( 2a-j ) with OH – in 80 mol % H 2 O/20 mol % DMSO at 25.0 ± 0.1 o C a entry Y p K aY‐PhOH k OH‒ /M ‒1 s ‒1 12a 3,4-(NO 2 ) 2 5.42 98.9 794 b 4-NO 2 7.14 13.4 140 c 4-CHO 7.66 4.72 50.8 d 4-COMe 8.05 3.27 34.7 e 3-NO 2 8.35 5.97 - f 4-COOEt 8.503.1135.1 g 3-CHO

  已通过光谱法测量了Y取代的苯基苯甲酸酯（2a-j）碱性水解的二级速率常数< T പി >$(k_OH^-})$，并与先前报告的Y取代的苯基苯甲酸酯（1a-j）相应反应的< T പി >$k_OH^-}$数值进行了比较。碳酸酯2a-j的反应性比苯酸酯1a-j高出8~16倍。Hammett图与< T Π >$\sigma^-$和< T Π >$\sigma^o$常数相关，但显示出许多散点，而Yukawa-Tsuno图则表现出良好的线性相关性，< T Π >$\rho$ = 1.21，< T Π >$\gamma$ = 0.33。因此，可以得出结论，该反应是通过一个协同机制进行的，其中脱离基团的排除仅稍微提前。然而，不能排除当前反应通过一个强迫协同机制及一个高度不稳定的中间体进行的可能性。