2,5-Dihydroxy-4-methyl-benzoesaeure | 3209-15-2

• 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: 2,5-Dihydroxy-4-methyl-benzoesaeure
• 英文别名: 2.5-Dihydroxy-4-methyl-benzol-carbonsaeure-(1)；4-Methylgentisinsaeure；4-methyl-2,5-dihydroxybenzoic acid；4-methyl-2,5-dihydroxybenzoate；Toluhydrochinoncarbonsaeure aus m-Kresotinsaeure；2.5-Dioxy-4-methyl-benzol-carbonsaeure-(1)；2,5-dihydroxy-4-methyl-benzoic acid；2.5-Dioxy-p-toluylsaeure；2.5-Dioxy-p-toluylsaure；2,5-dihydroxy-4-methylbenzoic acid
• CAS: 3209-15-2
• 化学式: C₈H₈O₄
• mdl: MFCD18449013
• 分子量: 168.149
• InChiKey: FZLOTQMQISYYEK-UHFFFAOYSA-N

物化性质

• 熔点：
  210-212 °C
• 沸点：
  409.3±45.0 °C(Predicted)
• 密度：
  1.460±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,5-Dihydroxy-4-methyl-benzoesaeure 在 硫酸 、 permanganate(VII) ion 、 magnesium sulfate 作用下， 生成 2,5-二羟基对苯二甲酸乙酯
  参考文献：
  名称：

  Schmid, Monatshefte fur Chemie, 1911, vol. 32, p. 437

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 氢溴酸 、 乙酸酐 作用下， 生成 2,5-Dihydroxy-4-methyl-benzoesaeure
  参考文献：
  名称：

  Inouye; Miura, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1952, vol. 72, p. 228,234

  摘要：

  DOI：

文献信息

• Composition based on N-cholesteryloxycarbonyl-4-para-aminophenol and hydroquinone or one of its derivatives
  申请人：L'OREAL

  公开号：US20010036446A1

  公开（公告）日：2001-11-01

  Compositions comprising, in a physiologically acceptable medium, N-cholesteryloxycarbonyl-4-para-aminophenol and hydroquinone or one of its derivatives may be used for depigmenting and/or lightening the skin, the body hair, and/or the head hair by applying such a composition to the skin, the body hair, and/or the head hair.

  含有N-胆固醇氧羰基-4-对氨基苯酚和氢醌或其衍生物之一的组合物可用于通过将该组合物应用于皮肤、身体毛发和/或头发来使皮肤、身体毛发和/或头发脱色和/或变白。
• Functional annotation and characterization of 3-hydroxybenzoate 6-hydroxylase from Rhodococcus jostii RHA1
  作者：Stefania Montersino、Willem J.H. van Berkel

  DOI：10.1016/j.bbapap.2011.12.003

  日期：2012.3

  flavoprotein hydroxylases. Out of 18 candidate sequences, three hydroxylases are absent in other available Rhodococcus genomes. In addition, we report the biochemical characterization of 3-hydroxybenzoate 6-hydroxylase (3HB6H), a gentisate-producing enzyme originally mis-annotated as salicylate hydroxylase. R. jostii RHA1 3HB6H expressed in Escherichia coli is a homodimer with each 47kDa subunit containing

  玫瑰红球菌RHA1的基因组包含异常大量的加氧酶编码基因。这些基因中的许多基因还具有未知的功能，这表明该革兰氏阳性土壤放线菌的生化和分解代谢生物多样性的显着部分仍然难以捉摸。在这里，我们介绍推定的R. jostii RHA1黄素羟化酶的多重序列比对和系统发育分析。在18个候选序列中，其他可用的红球菌基因组中不存在3个羟化酶。此外，我们报告了3-羟基苯甲酸酯6-羟化酶（3HB6H）的生化特性，3-羟苯甲酸酯6-羟化酶，一种生产龙胆酸酯的酶，最初被误解为水杨酸酯羟化酶。在大肠杆菌中表达的R. jostii RHA1 3HB6H是同源二聚体，每个47kDa亚基均包含非共价结合的FAD辅助因子。该酶的最适pH约为pH 8.3，更喜欢使用NADH作为外部电子供体。3HB6H具有一系列3-羟基苯甲酸酯类似物，在芳香环的邻位或间位带有取代基。Gentisate是一种生理产物，是3HB6H的非底物效应物。该
• RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, AND COMPOUND
  申请人：TOKYO OHKA KOGYO CO., LTD.

  公开号：US20200183273A1

  公开（公告）日：2020-06-11

  A resist composition including a base material component (A) whose solubility in a developing solution is changed due to the action of an acid, and a compound (D0) formed of an anion moiety and a cation moiety which is represented by Formula (d0), in which the cation moiety of the compound (D0) has a Log P value of less than 7.7. In the formula, M m+ represents an m-valent organic cation, R d0 represents a substituent, p represents an integer of 0 to 3, q represents an integer of 0 to 3, n represents an integer of 2 or greater, and a relationship of “n+p≤(q×2)+5” is satisfied.

  一种抗蚀组合物，包括一种基材料组分（A），由于酸的作用而在显影液中溶解性发生改变，以及由阴离子基团和由公式（d0）表示的阳离子基团组成的化合物（D0）。其中，化合物（D0）的阳离子基团的Log P值小于7.7。在公式中，Mm+表示m价有机阳离子，Rd0表示取代基，p表示0到3之间的整数，q表示0到3之间的整数，n表示大于等于2的整数，并且满足“n+p≤（q×2）+5”的关系。
• Suicidal thoughts and acts in Irish adolescents
  作者：Jo Rowley、Kathleen Ganter、Carol Fitzpatrick

  DOI：10.1017/s0790966700006443

  日期：2001.9

  Objectives: To determine the frequency of reported suicidal thoughts and acts in (a) a school-based sample of Irish adolescents, (b) adolescents attending a community child and family mental health service.

  Method: The study population consisted of: (a) 195 adolescents aged 13-15 years attending ten secondary schools throughout Ireland. The schools were selected to represent a wide social and cultural spread: and (b) 66 adolescents aged 13-15 years attending a community child mental health service. The measures used were the Child Behaviour Checklist completed by the parents of the adolescents and the Youth Self Report completed by the adolescents.

  Results: Within the school sample, the parents of 3% of adolescents reported that their child had talked of harming him/herself, but none reported acts of self-harm. Fifteen percent of the adolescents themselves reported that they had thoughts of harming or killing themselves, and 8% reported that they had tried to harm or kill themselves.

  Within the mental health clinic attenders sample, the parents of 33% of the adolescents reported that their child had talked of harming him/herself, and the parents of 27% reported that their child had tried to harm or kill themselves. Twenty-one percent of the adolescents themselves reported that they had thoughts of harming or killing themselves, and 21% percent reported that they had tried to do so. In both groups, adolescents with higher total problem, internalising and externalising scores on the questionnaires, indicating greater disturbance, were more likely to report thoughts and acts of self harm.

  Conclusions: Thoughts of suicide and acts of self harm are common in Irish adolescents and are not limited to those attending mental health services. Parents are frequently unaware of these thoughts. Further studies involving interviews with adolescents at risk are indicated to determine the significance of these thoughts and how adolescents deal with them.

  摘要：目的：确定确定(a) 以学校为基础的爱尔兰青少年样本，(b) 接受社区儿童和家庭心理健康服务的青少年报告的自杀想法和行为的频率：研究对象包括：(a) 在爱尔兰 10 所中学就读的 195 名 13-15 岁青少年。这些学校的选择代表了广泛的社会和文化分布：（b）66 名 13-15 岁的青少年，他们正在接受社区儿童心理健康服务。采用的测量方法是由青少年父母填写的儿童行为检查表和青少年填写的青少年自我报告：在学校样本中，3%的青少年的父母称他们的孩子曾说过要伤害自己，但没有人报告有自残行为。在心理健康诊所就诊者样本中，33%的青少年的父母表示他们的孩子曾说过要伤害自己，27%的青少年的父母表示他们的孩子曾试图伤害或杀害自己。21%的青少年自己表示曾有过伤害或自杀的念头，21%的青少年表示曾试图这样做。在这两组青少年中，问题总分、内化和外化问卷得分较高的青少年更有可能报告有自我伤害的想法和行为：结论：自杀念头和自我伤害行为在爱尔兰青少年中很常见，并不局限于那些接受心理健康服务的青少年。家长往往不了解这些想法。为了确定这些想法的重要性以及青少年如何处理这些想法，需要对高危青少年进行访谈，以开展进一步的研究。
• Enantioselective Synthesis of 2,3,3a,8a-Tetrahydrofuro[2,3-<i>b</i>]benzofuran Scaffolds Enabled by Cu(II)/SPDO-Catalyzed [3+2] Cycloaddition of 2,3-Dihydrofuran and Quinone Esters
  作者：Jin-xin Zhu、Jin-Miao Tian、Yao-Yao Chen、Xue-Jiao Hu、Xue Han、Wenchao Chen、Zhikun Yang、Xiaoze Bao、Xinyi Ye、Hua Chen、Fu-Min Zhang、Hong Wang、Yong-Qiang Tu

  DOI：10.1021/acs.joc.3c01681

  日期：2023.10.20

  An asymmetric [3+2] cycloaddition of quinone esters with 2,3-dihydrofuran has been realized via a newly developed Cu(II)/SPDO complex. It provides straightforward access to 2,3,3a,8a-tetrahydrofuro[2,3-b]benzofurans (TFB) with high enantioselectivity (up to 97.5:2.5 er) and diastereoselectivity (all >20:1 dr). The resulting adducts contain two adjacent stereocenters and a continuously functionalized

  通过新开发的 Cu(II)/SPDO 配合物实现了醌酯与 2,3-二氢呋喃的不对称 [3+2] 环加成。它可以直接获得 2,3,3a,8a-四氢呋喃并[2,3- b ]苯并呋喃 (TFB)，具有高对映选择性（高达 97.5:2.5 er）和非对映选择性（全部 >20:1 dr）。所得加合物含有两个相邻的立体中心和一个连续官能化的苯环。此外，这种转化可以很容易地在克规模上进行，从而可以方便地合成天然二氢黄曲霉毒素D 2和黄曲霉毒素B 2。