2-羟基-5-甲基苯磺酰胺 | 19801-43-5

• 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-5-甲基苯磺酰胺
• 英文名称: 2-hydroxy-5-methyl-benzenesulfonamide
• 英文别名: 4-hydroxy-toluene-3-sulfonic acid amide；4-Hydroxy-toluol-3-sulfonsaeure-amid；p-Kresol-sulfonsaeure-(2)-amid；2-hydroxy-5-methylphenylsulfonamide；2-Hydroxy-5-methyl-benzolsulfonamid；2-Hydroxy-5-methylbenzenesulfonamide
• CAS: 19801-43-5
• 化学式: C₇H₉NO₃S
• 分子量: 187.219
• InChiKey: NKJWGBDYMKUCMF-UHFFFAOYSA-N

物化性质

• 沸点：
  388.4±52.0 °C(Predicted)
• 密度：
  1.406±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  88.8
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2935009090

反应信息

• 作为反应物：
  描述：

  2-羟基-5-甲基苯磺酰胺 在 三氯氧磷 作用下， 生成 (7-methyl-1,1-dioxo-1H-1λ6-benzo[1,4,3]oxathiazin-3-yl)-phenyl-amine
  参考文献：
  名称：

  降糖药的研究。IV。1,4,3-苯并恶嗪-4,4-二氧化物的合成。

  摘要：

  通过 N-乙酰基-2-羟基苯磺酰胺，然后进行水解，以 2-乙酰氧基苯磺酰氯为原料制备了 2-羟基苯磺酰胺，收率很高。此外，还介绍了 2-烷基、芳基、苄基或取代氨基-1，4，3-苯并恶嗪-4，4-二氧 化物的制备方法。此外，还制备了 2-甲基或苄基-2，3-二氢-1，4，3-苯并恶嗪-4，4-二氧化物。

  DOI：

  10.1248/cpb.16.806
• 作为产物：
  描述：

  7-methyl-1,1-dioxo-1,2-dihydro-1λ6-benzo[1,4,3]oxathiazin-3-one 在 水 作用下， 生成 2-羟基-5-甲基苯磺酰胺
  参考文献：
  名称：

  Lohaus,G., Chemische Berichte, 1972, vol. 105, p. 2791 - 2799

  摘要：

  DOI：

文献信息

• N-Phenylsulfonyl-N-triazinylureas
  申请人：Ciba-Geigy Corporation

  公开号：US04443243A1

  公开（公告）日：1984-04-17

  N-Phenylsulfonyl-N'-pyrimidinyl- and -triazinylureas of the general formula ##STR1## and the salts of these compounds with amines, with alkali or alkaline-earth metal bases or with quaternary ammonium bases, have good pre- and post-emergence selective, herbicidal and growth-regulating properties. The symbols in this formula are as follows: A is a C.sub.3 -C.sub.6 -alkynyl group, E is the methine group or nitrogen, X is oxygen, sulfur or a sulfinyl or sulfonyl bridge, Z is oxygen or sulfur, m is the number one or two, R.sub.1 is hydrogen, halogen, C.sub.1 -C.sub.5 -alkyl or C.sub.2 -C.sub.5 -alkenyl or a group --Y--R.sub.5, R.sub.2 is hydrogen, halogen, C.sub.1 -C.sub.5 -alkyl, C.sub.2 -C.sub.5 -alkenyl or C.sub.1 -C.sub.4 -haloalkyl, or a group --Y--R.sub.5, --COOR.sub.6, --NO.sub.2 or --CO--NR.sub.7 --R.sub.8, R.sub.3 and R.sub.4 independently of one another are each hydrogen, C.sub.1 -C.sub.4 -alkyl, C.sub.1 -C.sub.4 -alkoxy, C.sub.1 -C.sub.4 -alkylthio, C.sub.1 -C.sub.4 -haloalkyl, C.sub.1 -C.sub.4 -haloalkoxy, halogen or alkoxyalkyl having at most 4 carbon atoms, R.sub.5 and R.sub.6 are each C.sub.1 -C.sub.5 -alkyl, C.sub.2 -C.sub.5 -alkenyl or C.sub.2 -C.sub.6 -alkynyl, R.sub.7 and R.sub.8 independently of one another are each hydrogen, C.sub.1 -C.sub.5 -alkyl, C.sub.2 -C.sub.5 -alkenyl or C.sub.2 -C.sub.6 -alkynyl, and Y is oxygen, sulfur or a sulfinyl or sulfonyl bridge.

  通式为##STR1##的N-苯基磺酰-N'-嘧啶基和三嗪基脲以及这些化合物与胺、碱金属或碱土金属碱或季铵基的盐具有良好的前、后出苗选择性、除草和生长调节性能。其中，该式中的符号如下：A为C.sub.3-C.sub.6炔基，E为亚甲基基团或氮，X为氧、硫或亚磺酰基或磺酰基桥，Z为氧或硫，m为1或2，R.sub.1为氢、卤素、C.sub.1-C.sub.5烷基或C.sub.2-C.sub.5烯基或--Y--R.sub.5基团，R.sub.2为氢、卤素、C.sub.1-C.sub.5烷基、C.sub.2-C.sub.5烯基或C.sub.1-C.sub.4卤代烷基或--Y--R.sub.5、--COOR.sub.6、--NO.sub.2或--CO--NR.sub.7--R.sub.8基团，R.sub.3和R.sub.4各自独立地为氢、C.sub.1-C.sub.4烷基、C.sub.1-C.sub.4烷氧基、C.sub.1-C.sub.4烷硫基、C.sub.1-C.sub.4卤代烷基、C.sub.1-C.sub.4卤代烷氧基、卤素或最多有4个碳原子的烷氧基烷基，R.sub.5和R.sub.6各自为C.sub.1-C.sub.5烷基、C.sub.2-C.sub.5烯基或C.sub.2-C.sub.6炔基，R.sub.7和R.sub.8各自独立地为氢、C.sub.1-C.sub.5烷基、C.sub.2-C.sub.5烯基或C.sub.2-C.sub.6炔基，Y为氧、硫或亚磺酰基或磺酰基桥。
• N-Phenylsulfonyl-N'-pyrimidinylureas
  申请人：Ciba-Geigy Corporation

  公开号：US04523944A1

  公开（公告）日：1985-06-18

  N-Phenylsulfonyl-N'-pyrimidinyl- and -triazinylureas of the general formula ##STR1## and the salts of these compounds with amines, with alkali or alkaline-earth metal bases or with quaternary ammonium bases, have good pre- and post-emergence selective, herbicidal and growth-regulating properties. The symbols in this formula are as follows: A is a C.sub.3 -C.sub.6 -alkynyl group, E is the methine group or nitrogen, X is oxygen, sulfur or a sulfinyl or sulfonyl bridge, Z is oxygen or sulfur, m is the number one or two, R.sub.1 is hydrogen, halogen, C.sub.1 -C.sub.5 -alkyl or C.sub.2 -C.sub.5 -alkenyl or a group --Y--R.sub.5, R.sub.2 is hydrogen, halogen, C.sub.1 -C.sub.5 -alkyl, C.sub.2 -C.sub.5 -alkenyl or C.sub.1 -C.sub.4 -haloalkyl, or a group --Y--R.sub.5, --COOR.sub.6, --NO.sub.2 or --CO--NR.sub.7 --R.sub.8, R.sub.3 and R.sub.4 independently of one another are each hydrogen, C.sub.1 -C.sub.4 -alkyl, C.sub.1 -C.sub.4 -alkoxy, C.sub.1 -C.sub.4 -alkylthio, C.sub.1 -C.sub.4 -haloalkyl, C.sub.1 -C.sub.4 -haloalkoxy, halogen or alkoxyalkyl having at most 4 carbon atoms, R.sub.5 and R.sub.6 are each C.sub.1 -C.sub.5 -alkyl, C.sub.2 -C.sub.5 -alkenyl or C.sub.2 -C.sub.6 -alkynyl, R.sub.7 and R.sub.8 independently of one another are each hydrogen, C.sub.1 -C.sub.5 -alkyl, C.sub.2 -C.sub.5 -alkenyl or C.sub.2 -C.sub.6 -alkynyl, and Y is oxygen, sulfur or a sulfinyl or sulfonyl bridge.

  通式为##STR1##的N-苯磺酰-N'-嘧啶基和-三嗪基脲以及这些化合物与胺、碱性或碱土金属碱或季铵碱的盐具有良好的选择性除草和生长调节特性。该公式中的符号如下：A是C.sub.3-C.sub.6-炔基，E是亚甲基基团或氮，X是氧、硫或亚砜或磺酰桥，Z是氧或硫，m是数字1或2，R.sub.1是氢、卤素、C.sub.1-C.sub.5-烷基或C.sub.2-C.sub.5-烯基或--Y--R.sub.5基团，R.sub.2是氢、卤素、C.sub.1-C.sub.5-烷基、C.sub.2-C.sub.5-烯基或C.sub.1-C.sub.4-卤代烷基，或--Y--R.sub.5、--COOR.sub.6、--NO.sub.2或--CO--NR.sub.7--R.sub.8基团，R.sub.3和R.sub.4各自独立地是氢、C.sub.1-C.sub.4-烷基、C.sub.1-C.sub.4-烷氧基、C.sub.1-C.sub.4-烷硫基、C.sub.1-C.sub.4-卤代烷基、C.sub.1-C.sub.4-卤代烷氧基、卤素或最多具有4个碳原子的烷氧基，R.sub.5和R.sub.6各自是C.sub.1-C.sub.5-烷基、C.sub.2-C.sub.5-烯基或C.sub.2-C.sub.6-炔基，R.sub.7和R.sub.8各自独立地是氢、C.sub.1-C.sub.5-烷基、C.sub.2-C.sub.5-烯基或C.sub.2-C.sub.6-炔基，Y是氧、硫或亚砜或磺酰桥。
• Phenetanolamine derivatives
  申请人：Biggadike Keith

  公开号：US20070135490A1

  公开（公告）日：2007-06-14

  Compounds of formula (I): and salts, solvates, and physiologically functional derivatives thereof, useful for the prophylaxis or treatment of a clinical condition for which a selective β 2 -adrenoreceptor agonist is indicated, for example asthma or chronic obstructive pulmonary disease (COPD).

  公式（I）的化合物及其盐，溶剂合物和生理学上的功能衍生物，可用于预防或治疗选择性β2-肾上腺素受体激动剂适用的临床疾病，例如哮喘或慢性阻塞性肺疾病（COPD）。
• Benzothiophen and thiochrone containing phenethanolamine derivatives for the treatment of respiratory disorders
  申请人：Biggadike Keith

  公开号：US20070172385A1

  公开（公告）日：2007-07-26

  Compounds of formula (I): and salts, solvates, and physiologically functional derivatives thereof, useful for the prophylaxis or treatment of a clinical condition for which a selective β 2 -adrenoreceptor agonist is indicated, for example asthma or chronic obstructive pulmonary disease (COPD).

  公式(I)的化合物及其盐、溶剂合物和生理功能衍生物，可用于预防或治疗选择性β2-肾上腺素能受体激动剂适用的临床疾病，例如哮喘或慢性阻塞性肺疾病（COPD）。
• Medicinal Compounds
  申请人：Box Philip Charles

  公开号：US20090105309A1

  公开（公告）日：2009-04-23

  Compounds of formula (I): and salts, solvates, and physiologically functional derivatives thereof, useful for the prophylaxis or treatment of a clinical condition for which a selective β 2 -adrenoreceptor agonist is indicated, for example asthma or chronic obstructive pulmonary disease (COPD).

  式(I)的化合物及其盐、溶剂合物和生理功能衍生物，可用于预防或治疗需要选择性β2-肾上腺素受体激动剂的临床病症，例如哮喘或慢性阻塞性肺疾病（COPD）。