7-甲氧基萘-1-磺酰氯 | 56875-61-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 7-甲氧基萘-1-磺酰氯
• 英文名称: 7-methoxy-naphthalene-1-sulfonyl chloride
• 英文别名: 7-Methoxy-naphthalin-1-sulfonylchlorid；7-Methoxynaphthalene-1-sulfonyl chloride
• CAS: 56875-61-7
• 化学式: C₁₁H₉ClO₃S
• 分子量: 256.71
• InChiKey: JQOAPMZPGOGRNE-UHFFFAOYSA-N

物化性质

• 沸点：
  380.9±17.0 °C(Predicted)
• 密度：
  1.393±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-甲氧基萘-1-磺酰氯 以 二氯甲烷 、 水 为溶剂， 反应 3.0h， 生成 7-methoxy-1-methylnaphthalene
  参考文献：
  名称：

  Metal-ammonia reduction and reductive alkylation of N-alkylnaphthalenesulfonamides. A new route to substituted naphthalenes

  摘要：

  Conditions have been found for 1,4-reduction of aromatic sulfonamides (conveniently monitored by electrical conductivity), using metals in THF/liquid ammonia on the pre-formed N-lithium salts (BuLi), without concomitant C-S reductive cleavage. The resulting 1,4-dihydro compounds could be alkylated, either in situ (in the case of simple unfunctionalized halides only) or, following isolation, after further N-alkylation and then forming the monoanion, or after forming the dianion of the N-monoalkylated dihydrosulfonamide, generally using as base n-butyllithium (a simple titration procedure). In the former case functionalized electrophiles (bromo esters, chloroformates) could be utilized. The ratio of alpha- to gamma-alkylation was dependent on the method of alkylation, the reaction medium, the nature of the N-alkyl group(s), and whether a monoanion or a dianion served as substrate. Gamma-Alkylation products could in some cases be further alpha-substituted. The alpha-substituted products aromatized, with loss of SO2 and amine, by heating, whereas gamma-substitution products required hydrolysis by aqueous alkali; this greatly facilitated separation where mixtures were formed. Thus, this dihydrosulfonamide route constitutes a novel and nucleophilic route to 1-substituted, 2-substituted, and, notably, 1,3-disubstituted naphthalenes.

  DOI：

  10.1021/jo00035a018
• 作为产物：
  描述：

  2-hydroxy-8-naphthalenesulfonic acid monosodium salt 在 sodium hydroxide 、 氯化亚砜 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 7-甲氧基萘-1-磺酰氯
  参考文献：
  名称：

  Metal-ammonia reduction and reductive alkylation of N-alkylnaphthalenesulfonamides. A new route to substituted naphthalenes

  摘要：

  Conditions have been found for 1,4-reduction of aromatic sulfonamides (conveniently monitored by electrical conductivity), using metals in THF/liquid ammonia on the pre-formed N-lithium salts (BuLi), without concomitant C-S reductive cleavage. The resulting 1,4-dihydro compounds could be alkylated, either in situ (in the case of simple unfunctionalized halides only) or, following isolation, after further N-alkylation and then forming the monoanion, or after forming the dianion of the N-monoalkylated dihydrosulfonamide, generally using as base n-butyllithium (a simple titration procedure). In the former case functionalized electrophiles (bromo esters, chloroformates) could be utilized. The ratio of alpha- to gamma-alkylation was dependent on the method of alkylation, the reaction medium, the nature of the N-alkyl group(s), and whether a monoanion or a dianion served as substrate. Gamma-Alkylation products could in some cases be further alpha-substituted. The alpha-substituted products aromatized, with loss of SO2 and amine, by heating, whereas gamma-substitution products required hydrolysis by aqueous alkali; this greatly facilitated separation where mixtures were formed. Thus, this dihydrosulfonamide route constitutes a novel and nucleophilic route to 1-substituted, 2-substituted, and, notably, 1,3-disubstituted naphthalenes.

  DOI：

  10.1021/jo00035a018

文献信息

• Piperidine-4 sulphonamide compounds
  申请人：——

  公开号：US20010034352A1

  公开（公告）日：2001-10-25

  Compound of formula (I): 1 wherein: R 1 represents hydrogen or alkyl, R 2a and R 2b represent a group selected from hydrogen, halogen, alkyl, hydroxy, alkoxy, trihaloalkyl, cyano, nitro, amino, alkylamino and dialkylamino, R 3 represents hydrogen or hydroxy, X represents oxygen or methylene, V represents an alkylene chain that is optionally unsaturated and optionally substituted, U represents a bond or an alkylene chain, W represents a group selected from aryl and heteroaryl, each of those groups being optionally substituted by one or more identical or different groups, its isomers, its hydrates, its solvates and addition salts thereof with a pharmaceutically acceptable acid. Medicinal products containing the same which are useful in the treatment of diseases or pathological conditions in which endothelial dysfunction is known.

  化合物的结构式（I）如下所示： R1代表氢原子或烷基， R2a和R2b代表从氢、卤素、烷基、羟基、烷氧基、三卤代烷基、氰基、硝基、氨基、烷基氨基和二烷基氨基中选择的基团， R3代表氢原子或羟基， X代表氧原子或亚甲基， V代表一种可以是不饱和和可以被取代的烷基链， U代表键或烷基链， W代表从芳基和杂环芳基中选择的基团，每个基团可以被一个或多个相同或不同的基团取代， 它的异构体、水合物、溶剂合物以及与药学上可接受的酸形成的加合物。 含有这种化合物的药品对治疗已知存在内皮功能障碍的疾病或病理情况有用。
• Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds
  申请人：——

  公开号：US20020013310A1

  公开（公告）日：2002-01-31

  The compounds of formula I herein exhibit useful pharmacological activity and accordingly are incorporated into pharmaceutical compositions and used in the treatment of patients suffering from certain medical disorders. More specifically, they are inhibitors of the activity of Factor Xa. The present invention is directed to compounds of formula I, compositions containing compounds of formula I, and their use, for treating a patient suffering from, or subject to, a physiological condition which can be ameliorated by the administration of an inhibitor of the activity of Factor Xa.

  本文中的I式化合物表现出有用的药理活性，因此被纳入制药组合物中，并用于治疗患有某些医学疾病的患者。更具体地说，它们是Factor Xa活性的抑制剂。本发明涉及I式化合物、含有I式化合物的组合物以及它们的使用，用于治疗患有或受到生理状况影响的患者，这些状况可以通过给予Factor Xa活性抑制剂的治疗得到改善。
• SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL -AZAHETEROCYCLYLAMIDE COMPOUNDS
  申请人：Aventis Pharmaceuticals Inc.

  公开号：EP0853618B1

  公开（公告）日：2011-08-17
• SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS
  申请人：RHONE-POULENC RORER PHARMACEUTICALS, INC.

  公开号：EP0853618A1

  公开（公告）日：1998-07-22
• EP0853618A4
  申请人：——

  公开号：EP0853618A4

  公开（公告）日：2000-03-15